see global keys
Cif Help
Cif File Value
Cif Text
Cif ValuesOf SimpleKeys
Cif ListOf Key
Cif ListOf SimpleKey
Cif ListOf SimpleKeyClass
Cif ListOf LoopKey
Cif ListOf LoopKeyClass
Cif AsymAndEntities
Cif _entity ListOfLines
CifEntity
CifEntity Help
CifEntity 2 _entity pdbx_description
CifEntity 2 Sequence
CifEx Help
CifAsym Help
CifAsym ListOf LabelAuth
CifAsym ListOf Label
CifAsym L Auth
CifAsym A Label
CifAsym Auth_A _entity.id
see simple Cif keys
Cif _entry.id
Cif _audit_conform.dict_name
Cif _audit_conform.dict_version
Cif _audit_conform.dict_location
Cif _pdbx_database_status.status_code
Cif _pdbx_database_status.status_code_sf
Cif _pdbx_database_status.status_code_mr
Cif _pdbx_database_status.entry_id
Cif _pdbx_database_status.recvd_initial_deposition_date
Cif _pdbx_database_status.SG_entry
Cif _pdbx_database_status.deposit_site
Cif _pdbx_database_status.process_site
Cif _pdbx_database_status.status_code_cs
Cif _pdbx_database_status.status_code_nmr_data
Cif _pdbx_database_status.methods_development_category
Cif _pdbx_database_status.pdb_format_compatible
Cif _citation.abstract
Cif _citation.abstract_id_CAS
Cif _citation.book_id_ISBN
Cif _citation.book_publisher
Cif _citation.book_publisher_city
Cif _citation.book_title
Cif _citation.coordinate_linkage
Cif _citation.country
Cif _citation.database_id_Medline
Cif _citation.details
Cif _citation.id
Cif _citation.journal_abbrev
Cif _citation.journal_id_ASTM
Cif _citation.journal_id_CSD
Cif _citation.journal_id_ISSN
Cif _citation.journal_full
Cif _citation.journal_issue
Cif _citation.journal_volume
Cif _citation.language
Cif _citation.page_first
Cif _citation.page_last
Cif _citation.title
Cif _citation.year
Cif _citation.database_id_CSD
Cif _citation.pdbx_database_id_DOI
Cif _citation.pdbx_database_id_PubMed
Cif _citation.pdbx_database_id_patent
Cif _citation.unpublished_flag
Cif _cell.angle_alpha
Cif _cell.angle_alpha_esd
Cif _cell.angle_beta
Cif _cell.angle_beta_esd
Cif _cell.angle_gamma
Cif _cell.angle_gamma_esd
Cif _cell.entry_id
Cif _cell.details
Cif _cell.formula_units_Z
Cif _cell.length_a
Cif _cell.length_a_esd
Cif _cell.length_b
Cif _cell.length_b_esd
Cif _cell.length_c
Cif _cell.length_c_esd
Cif _cell.volume
Cif _cell.volume_esd
Cif _cell.Z_PDB
Cif _cell.reciprocal_angle_alpha
Cif _cell.reciprocal_angle_beta
Cif _cell.reciprocal_angle_gamma
Cif _cell.reciprocal_angle_alpha_esd
Cif _cell.reciprocal_angle_beta_esd
Cif _cell.reciprocal_angle_gamma_esd
Cif _cell.reciprocal_length_a
Cif _cell.reciprocal_length_b
Cif _cell.reciprocal_length_c
Cif _cell.reciprocal_length_a_esd
Cif _cell.reciprocal_length_b_esd
Cif _cell.reciprocal_length_c_esd
Cif _cell.pdbx_unique_axis
Cif _symmetry.entry_id
Cif _symmetry.cell_setting
Cif _symmetry.Int_Tables_number
Cif _symmetry.space_group_name_Hall
Cif _symmetry.space_group_name_H-M
Cif _symmetry.pdbx_full_space_group_name_H-M
Cif _entity_poly.entity_id
Cif _entity_poly.type
Cif _entity_poly.nstd_linkage
Cif _entity_poly.nstd_monomer
Cif _entity_poly.pdbx_seq_one_letter_code
Cif _entity_poly.pdbx_seq_one_letter_code_can
Cif _entity_poly.pdbx_strand_id
Cif _entity_poly.pdbx_target_identifier
Cif _entity_src_gen.entity_id
Cif _entity_src_gen.pdbx_src_id
Cif _entity_src_gen.pdbx_alt_source_flag
Cif _entity_src_gen.pdbx_seq_type
Cif _entity_src_gen.pdbx_beg_seq_num
Cif _entity_src_gen.pdbx_end_seq_num
Cif _entity_src_gen.gene_src_common_name
Cif _entity_src_gen.gene_src_genus
Cif _entity_src_gen.pdbx_gene_src_gene
Cif _entity_src_gen.gene_src_species
Cif _entity_src_gen.gene_src_strain
Cif _entity_src_gen.gene_src_tissue
Cif _entity_src_gen.gene_src_tissue_fraction
Cif _entity_src_gen.gene_src_details
Cif _entity_src_gen.pdbx_gene_src_fragment
Cif _entity_src_gen.pdbx_gene_src_scientific_name
Cif _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id
Cif _entity_src_gen.pdbx_gene_src_variant
Cif _entity_src_gen.pdbx_gene_src_cell_line
Cif _entity_src_gen.pdbx_gene_src_atcc
Cif _entity_src_gen.pdbx_gene_src_organ
Cif _entity_src_gen.pdbx_gene_src_organelle
Cif _entity_src_gen.pdbx_gene_src_cell
Cif _entity_src_gen.pdbx_gene_src_cellular_location
Cif _entity_src_gen.host_org_common_name
Cif _entity_src_gen.pdbx_host_org_scientific_name
Cif _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id
Cif _entity_src_gen.host_org_genus
Cif _entity_src_gen.pdbx_host_org_gene
Cif _entity_src_gen.pdbx_host_org_organ
Cif _entity_src_gen.host_org_species
Cif _entity_src_gen.pdbx_host_org_tissue
Cif _entity_src_gen.pdbx_host_org_tissue_fraction
Cif _entity_src_gen.pdbx_host_org_strain
Cif _entity_src_gen.pdbx_host_org_variant
Cif _entity_src_gen.pdbx_host_org_cell_line
Cif _entity_src_gen.pdbx_host_org_atcc
Cif _entity_src_gen.pdbx_host_org_culture_collection
Cif _entity_src_gen.pdbx_host_org_cell
Cif _entity_src_gen.pdbx_host_org_organelle
Cif _entity_src_gen.pdbx_host_org_cellular_location
Cif _entity_src_gen.pdbx_host_org_vector_type
Cif _entity_src_gen.pdbx_host_org_vector
Cif _entity_src_gen.host_org_details
Cif _entity_src_gen.expression_system_id
Cif _entity_src_gen.plasmid_name
Cif _entity_src_gen.plasmid_details
Cif _entity_src_gen.pdbx_description
Cif _struct_ref.id
Cif _struct_ref.db_name
Cif _struct_ref.db_code
Cif _struct_ref.pdbx_db_accession
Cif _struct_ref.pdbx_db_isoform
Cif _struct_ref.entity_id
Cif _struct_ref.pdbx_seq_one_letter_code
Cif _struct_ref.pdbx_align_begin
Cif _struct_ref_seq.align_id
Cif _struct_ref_seq.ref_id
Cif _struct_ref_seq.pdbx_PDB_id_code
Cif _struct_ref_seq.pdbx_strand_id
Cif _struct_ref_seq.seq_align_beg
Cif _struct_ref_seq.pdbx_seq_align_beg_ins_code
Cif _struct_ref_seq.seq_align_end
Cif _struct_ref_seq.pdbx_seq_align_end_ins_code
Cif _struct_ref_seq.pdbx_db_accession
Cif _struct_ref_seq.db_align_beg
Cif _struct_ref_seq.pdbx_db_align_beg_ins_code
Cif _struct_ref_seq.db_align_end
Cif _struct_ref_seq.pdbx_db_align_end_ins_code
Cif _struct_ref_seq.pdbx_auth_seq_align_beg
Cif _struct_ref_seq.pdbx_auth_seq_align_end
Cif _exptl.absorpt_coefficient_mu
Cif _exptl.absorpt_correction_T_max
Cif _exptl.absorpt_correction_T_min
Cif _exptl.absorpt_correction_type
Cif _exptl.absorpt_process_details
Cif _exptl.entry_id
Cif _exptl.crystals_number
Cif _exptl.details
Cif _exptl.method
Cif _exptl.method_details
Cif _exptl_crystal.colour
Cif _exptl_crystal.density_diffrn
Cif _exptl_crystal.density_Matthews
Cif _exptl_crystal.density_method
Cif _exptl_crystal.density_percent_sol
Cif _exptl_crystal.description
Cif _exptl_crystal.F_000
Cif _exptl_crystal.id
Cif _exptl_crystal.preparation
Cif _exptl_crystal.size_max
Cif _exptl_crystal.size_mid
Cif _exptl_crystal.size_min
Cif _exptl_crystal.size_rad
Cif _exptl_crystal.colour_lustre
Cif _exptl_crystal.colour_modifier
Cif _exptl_crystal.colour_primary
Cif _exptl_crystal.density_meas
Cif _exptl_crystal.density_meas_esd
Cif _exptl_crystal.density_meas_gt
Cif _exptl_crystal.density_meas_lt
Cif _exptl_crystal.density_meas_temp
Cif _exptl_crystal.density_meas_temp_esd
Cif _exptl_crystal.density_meas_temp_gt
Cif _exptl_crystal.density_meas_temp_lt
Cif _exptl_crystal.pdbx_crystal_image_url
Cif _exptl_crystal.pdbx_crystal_image_format
Cif _exptl_crystal.pdbx_mosaicity
Cif _exptl_crystal.pdbx_mosaicity_esd
Cif _exptl_crystal_grow.apparatus
Cif _exptl_crystal_grow.atmosphere
Cif _exptl_crystal_grow.crystal_id
Cif _exptl_crystal_grow.details
Cif _exptl_crystal_grow.method
Cif _exptl_crystal_grow.method_ref
Cif _exptl_crystal_grow.pH
Cif _exptl_crystal_grow.pressure
Cif _exptl_crystal_grow.pressure_esd
Cif _exptl_crystal_grow.seeding
Cif _exptl_crystal_grow.seeding_ref
Cif _exptl_crystal_grow.temp
Cif _exptl_crystal_grow.temp_details
Cif _exptl_crystal_grow.temp_esd
Cif _exptl_crystal_grow.time
Cif _exptl_crystal_grow.pdbx_details
Cif _exptl_crystal_grow.pdbx_pH_range
Cif _diffrn.ambient_environment
Cif _diffrn.ambient_temp
Cif _diffrn.ambient_temp_details
Cif _diffrn.ambient_temp_esd
Cif _diffrn.crystal_id
Cif _diffrn.crystal_support
Cif _diffrn.crystal_treatment
Cif _diffrn.details
Cif _diffrn.id
Cif _diffrn.ambient_pressure
Cif _diffrn.ambient_pressure_esd
Cif _diffrn.ambient_pressure_gt
Cif _diffrn.ambient_pressure_lt
Cif _diffrn.ambient_temp_gt
Cif _diffrn.ambient_temp_lt
Cif _diffrn.pdbx_serial_crystal_experiment
Cif _diffrn_detector.details
Cif _diffrn_detector.detector
Cif _diffrn_detector.diffrn_id
Cif _diffrn_detector.type
Cif _diffrn_detector.area_resol_mean
Cif _diffrn_detector.dtime
Cif _diffrn_detector.pdbx_frames_total
Cif _diffrn_detector.pdbx_collection_time_total
Cif _diffrn_detector.pdbx_collection_date
Cif _diffrn_detector.pdbx_frequency
Cif _diffrn_radiation.collimation
Cif _diffrn_radiation.diffrn_id
Cif _diffrn_radiation.filter_edge
Cif _diffrn_radiation.inhomogeneity
Cif _diffrn_radiation.monochromator
Cif _diffrn_radiation.polarisn_norm
Cif _diffrn_radiation.polarisn_ratio
Cif _diffrn_radiation.probe
Cif _diffrn_radiation.type
Cif _diffrn_radiation.xray_symbol
Cif _diffrn_radiation.wavelength_id
Cif _diffrn_radiation.pdbx_monochromatic_or_laue_m_l
Cif _diffrn_radiation.pdbx_wavelength_list
Cif _diffrn_radiation.pdbx_wavelength
Cif _diffrn_radiation.pdbx_diffrn_protocol
Cif _diffrn_radiation.pdbx_analyzer
Cif _diffrn_radiation.pdbx_scattering_type
Cif _diffrn_radiation_wavelength.id
Cif _diffrn_radiation_wavelength.wavelength
Cif _diffrn_radiation_wavelength.wt
Cif _diffrn_source.current
Cif _diffrn_source.details
Cif _diffrn_source.diffrn_id
Cif _diffrn_source.power
Cif _diffrn_source.size
Cif _diffrn_source.source
Cif _diffrn_source.target
Cif _diffrn_source.type
Cif _diffrn_source.voltage
Cif _diffrn_source.take-off_angle
Cif _diffrn_source.pdbx_wavelength_list
Cif _diffrn_source.pdbx_wavelength
Cif _diffrn_source.pdbx_synchrotron_beamline
Cif _diffrn_source.pdbx_synchrotron_site
Cif _reflns.B_iso_Wilson_estimate
Cif _reflns.entry_id
Cif _reflns.data_reduction_details
Cif _reflns.data_reduction_method
Cif _reflns.d_resolution_high
Cif _reflns.d_resolution_low
Cif _reflns.details
Cif _reflns.limit_h_max
Cif _reflns.limit_h_min
Cif _reflns.limit_k_max
Cif _reflns.limit_k_min
Cif _reflns.limit_l_max
Cif _reflns.limit_l_min
Cif _reflns.number_all
Cif _reflns.number_obs
Cif _reflns.observed_criterion
Cif _reflns.observed_criterion_F_max
Cif _reflns.observed_criterion_F_min
Cif _reflns.observed_criterion_I_max
Cif _reflns.observed_criterion_I_min
Cif _reflns.observed_criterion_sigma_F
Cif _reflns.observed_criterion_sigma_I
Cif _reflns.percent_possible_obs
Cif _reflns.R_free_details
Cif _reflns.Rmerge_F_all
Cif _reflns.Rmerge_F_obs
Cif _reflns.Friedel_coverage
Cif _reflns.number_gt
Cif _reflns.threshold_expression
Cif _reflns.pdbx_redundancy
Cif _reflns.pdbx_Rmerge_I_obs
Cif _reflns.pdbx_Rmerge_I_all
Cif _reflns.pdbx_Rsym_value
Cif _reflns.pdbx_netI_over_av_sigmaI
Cif _reflns.pdbx_netI_over_sigmaI
Cif _reflns.pdbx_res_netI_over_av_sigmaI_2
Cif _reflns.pdbx_res_netI_over_sigmaI_2
Cif _reflns.pdbx_chi_squared
Cif _reflns.pdbx_scaling_rejects
Cif _reflns.pdbx_d_res_high_opt
Cif _reflns.pdbx_d_res_low_opt
Cif _reflns.pdbx_d_res_opt_method
Cif _reflns.phase_calculation_details
Cif _reflns.pdbx_Rrim_I_all
Cif _reflns.pdbx_Rpim_I_all
Cif _reflns.pdbx_d_opt
Cif _reflns.pdbx_number_measured_all
Cif _reflns.pdbx_diffrn_id
Cif _reflns.pdbx_ordinal
Cif _reflns.pdbx_CC_half
Cif _reflns.pdbx_CC_star
Cif _reflns.pdbx_R_split
Cif _reflns.pdbx_aniso_diffraction_limit_1
Cif _reflns.pdbx_aniso_diffraction_limit_2
Cif _reflns.pdbx_aniso_diffraction_limit_3
Cif _reflns.pdbx_aniso_B_tensor_eigenvalue_1
Cif _reflns.pdbx_aniso_B_tensor_eigenvalue_2
Cif _reflns.pdbx_aniso_B_tensor_eigenvalue_3
Cif _reflns.pdbx_orthogonalization_convention
Cif _reflns.pdbx_percent_possible_ellipsoidal
Cif _reflns.pdbx_percent_possible_spherical
Cif _reflns.pdbx_percent_possible_ellipsoidal_anomalous
Cif _reflns.pdbx_percent_possible_spherical_anomalous
Cif _reflns.pdbx_redundancy_anomalous
Cif _reflns.pdbx_CC_half_anomalous
Cif _reflns.pdbx_absDiff_over_sigma_anomalous
Cif _reflns.pdbx_percent_possible_anomalous
Cif _reflns.pdbx_observed_signal_threshold
Cif _reflns.pdbx_signal_type
Cif _reflns.pdbx_signal_details
Cif _reflns.pdbx_signal_software_id
Cif _reflns_shell.d_res_high
Cif _reflns_shell.d_res_low
Cif _reflns_shell.meanI_over_sigI_all
Cif _reflns_shell.meanI_over_sigI_obs
Cif _reflns_shell.number_measured_all
Cif _reflns_shell.number_measured_obs
Cif _reflns_shell.number_possible
Cif _reflns_shell.number_unique_all
Cif _reflns_shell.number_unique_obs
Cif _reflns_shell.percent_possible_all
Cif _reflns_shell.percent_possible_obs
Cif _reflns_shell.Rmerge_F_all
Cif _reflns_shell.Rmerge_F_obs
Cif _reflns_shell.Rmerge_I_all
Cif _reflns_shell.Rmerge_I_obs
Cif _reflns_shell.meanI_over_sigI_gt
Cif _reflns_shell.meanI_over_uI_all
Cif _reflns_shell.meanI_over_uI_gt
Cif _reflns_shell.number_measured_gt
Cif _reflns_shell.number_unique_gt
Cif _reflns_shell.percent_possible_gt
Cif _reflns_shell.Rmerge_F_gt
Cif _reflns_shell.Rmerge_I_gt
Cif _reflns_shell.pdbx_redundancy
Cif _reflns_shell.pdbx_Rsym_value
Cif _reflns_shell.pdbx_chi_squared
Cif _reflns_shell.pdbx_netI_over_sigmaI_all
Cif _reflns_shell.pdbx_netI_over_sigmaI_obs
Cif _reflns_shell.pdbx_Rrim_I_all
Cif _reflns_shell.pdbx_Rpim_I_all
Cif _reflns_shell.pdbx_rejects
Cif _reflns_shell.pdbx_ordinal
Cif _reflns_shell.pdbx_diffrn_id
Cif _reflns_shell.pdbx_CC_half
Cif _reflns_shell.pdbx_CC_star
Cif _reflns_shell.pdbx_R_split
Cif _reflns_shell.pdbx_percent_possible_ellipsoidal
Cif _reflns_shell.pdbx_percent_possible_spherical
Cif _reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous
Cif _reflns_shell.pdbx_percent_possible_spherical_anomalous
Cif _reflns_shell.pdbx_redundancy_anomalous
Cif _reflns_shell.pdbx_CC_half_anomalous
Cif _reflns_shell.pdbx_absDiff_over_sigma_anomalous
Cif _reflns_shell.pdbx_percent_possible_anomalous
Cif _refine.B_iso_max
Cif _refine.B_iso_mean
Cif _refine.B_iso_min
Cif _refine.correlation_coeff_Fo_to_Fc
Cif _refine.correlation_coeff_Fo_to_Fc_free
Cif _refine.details
Cif _refine.diff_density_max
Cif _refine.diff_density_max_esd
Cif _refine.diff_density_min
Cif _refine.diff_density_min_esd
Cif _refine.diff_density_rms
Cif _refine.diff_density_rms_esd
Cif _refine.entry_id
Cif _refine.pdbx_refine_id
Cif _refine.ls_abs_structure_details
Cif _refine.ls_abs_structure_Flack
Cif _refine.ls_abs_structure_Flack_esd
Cif _refine.ls_abs_structure_Rogers
Cif _refine.ls_abs_structure_Rogers_esd
Cif _refine.ls_d_res_high
Cif _refine.ls_d_res_low
Cif _refine.ls_extinction_coef
Cif _refine.ls_extinction_coef_esd
Cif _refine.ls_extinction_expression
Cif _refine.ls_extinction_method
Cif _refine.ls_goodness_of_fit_all
Cif _refine.ls_goodness_of_fit_all_esd
Cif _refine.ls_goodness_of_fit_obs
Cif _refine.ls_goodness_of_fit_obs_esd
Cif _refine.ls_hydrogen_treatment
Cif _refine.ls_matrix_type
Cif _refine.ls_number_constraints
Cif _refine.ls_number_parameters
Cif _refine.ls_number_reflns_all
Cif _refine.ls_number_reflns_obs
Cif _refine.ls_number_reflns_R_free
Cif _refine.ls_number_reflns_R_work
Cif _refine.ls_number_restraints
Cif _refine.ls_percent_reflns_obs
Cif _refine.ls_percent_reflns_R_free
Cif _refine.ls_R_factor_all
Cif _refine.ls_R_factor_obs
Cif _refine.ls_R_factor_R_free
Cif _refine.ls_R_factor_R_free_error
Cif _refine.ls_R_factor_R_free_error_details
Cif _refine.ls_R_factor_R_work
Cif _refine.ls_R_Fsqd_factor_obs
Cif _refine.ls_R_I_factor_obs
Cif _refine.ls_redundancy_reflns_all
Cif _refine.ls_redundancy_reflns_obs
Cif _refine.ls_restrained_S_all
Cif _refine.ls_restrained_S_obs
Cif _refine.ls_shift_over_esd_max
Cif _refine.ls_shift_over_esd_mean
Cif _refine.ls_structure_factor_coef
Cif _refine.ls_weighting_details
Cif _refine.ls_weighting_scheme
Cif _refine.ls_wR_factor_all
Cif _refine.ls_wR_factor_obs
Cif _refine.ls_wR_factor_R_free
Cif _refine.ls_wR_factor_R_work
Cif _refine.occupancy_max
Cif _refine.occupancy_min
Cif _refine.solvent_model_details
Cif _refine.solvent_model_param_bsol
Cif _refine.solvent_model_param_ksol
Cif _refine.pdbx_R_complete
Cif _refine.ls_R_factor_gt
Cif _refine.ls_goodness_of_fit_gt
Cif _refine.ls_goodness_of_fit_ref
Cif _refine.ls_shift_over_su_max
Cif _refine.ls_shift_over_su_max_lt
Cif _refine.ls_shift_over_su_mean
Cif _refine.ls_shift_over_su_mean_lt
Cif _refine.pdbx_ls_sigma_I
Cif _refine.pdbx_ls_sigma_F
Cif _refine.pdbx_ls_sigma_Fsqd
Cif _refine.pdbx_data_cutoff_high_absF
Cif _refine.pdbx_data_cutoff_high_rms_absF
Cif _refine.pdbx_data_cutoff_low_absF
Cif _refine.pdbx_isotropic_thermal_model
Cif _refine.pdbx_ls_cross_valid_method
Cif _refine.pdbx_method_to_determine_struct
Cif _refine.pdbx_starting_model
Cif _refine.pdbx_stereochemistry_target_values
Cif _refine.pdbx_R_Free_selection_details
Cif _refine.pdbx_stereochem_target_val_spec_case
Cif _refine.pdbx_overall_ESU_R
Cif _refine.pdbx_overall_ESU_R_Free
Cif _refine.pdbx_solvent_vdw_probe_radii
Cif _refine.pdbx_solvent_ion_probe_radii
Cif _refine.pdbx_solvent_shrinkage_radii
Cif _refine.pdbx_real_space_R
Cif _refine.pdbx_density_correlation
Cif _refine.pdbx_pd_number_of_powder_patterns
Cif _refine.pdbx_pd_number_of_points
Cif _refine.pdbx_pd_meas_number_of_points
Cif _refine.pdbx_pd_proc_ls_prof_R_factor
Cif _refine.pdbx_pd_proc_ls_prof_wR_factor
Cif _refine.pdbx_pd_Marquardt_correlation_coeff
Cif _refine.pdbx_pd_Fsqrd_R_factor
Cif _refine.pdbx_pd_ls_matrix_band_width
Cif _refine.pdbx_overall_phase_error
Cif _refine.pdbx_overall_SU_R_free_Cruickshank_DPI
Cif _refine.pdbx_overall_SU_R_free_Blow_DPI
Cif _refine.pdbx_overall_SU_R_Blow_DPI
Cif _refine.pdbx_TLS_residual_ADP_flag
Cif _refine.pdbx_diffrn_id
Cif _refine.overall_SU_B
Cif _refine.overall_SU_ML
Cif _refine.overall_SU_R_Cruickshank_DPI
Cif _refine.overall_SU_R_free
Cif _refine.overall_FOM_free_R_set
Cif _refine.overall_FOM_work_R_set
Cif _refine.pdbx_average_fsc_overall
Cif _refine.pdbx_average_fsc_work
Cif _refine.pdbx_average_fsc_free
Cif _refine_hist.pdbx_refine_id
Cif _refine_hist.cycle_id
Cif _refine_hist.details
Cif _refine_hist.d_res_high
Cif _refine_hist.d_res_low
Cif _refine_hist.number_atoms_solvent
Cif _refine_hist.number_atoms_total
Cif _refine_hist.number_reflns_all
Cif _refine_hist.number_reflns_obs
Cif _refine_hist.number_reflns_R_free
Cif _refine_hist.number_reflns_R_work
Cif _refine_hist.R_factor_all
Cif _refine_hist.R_factor_obs
Cif _refine_hist.R_factor_R_free
Cif _refine_hist.R_factor_R_work
Cif _refine_hist.pdbx_number_residues_total
Cif _refine_hist.pdbx_B_iso_mean_ligand
Cif _refine_hist.pdbx_B_iso_mean_solvent
Cif _refine_hist.pdbx_number_atoms_protein
Cif _refine_hist.pdbx_number_atoms_nucleic_acid
Cif _refine_hist.pdbx_number_atoms_ligand
Cif _refine_hist.pdbx_number_atoms_lipid
Cif _refine_hist.pdbx_number_atoms_carb
Cif _refine_hist.pdbx_pseudo_atom_details
Cif _struct.entry_id
Cif _struct.title
Cif _struct.pdbx_model_details
Cif _struct.pdbx_formula_weight
Cif _struct.pdbx_formula_weight_method
Cif _struct.pdbx_model_type_details
Cif _struct.pdbx_CASP_flag
Cif _struct_keywords.entry_id
Cif _struct_keywords.text
Cif _struct_keywords.pdbx_keywords
Cif _struct_conf_type.id
Cif _struct_conf_type.criteria
Cif _struct_conf_type.reference
Cif _struct_conn.id
Cif _struct_conn.conn_type_id
Cif _struct_conn.pdbx_leaving_atom_flag
Cif _struct_conn.pdbx_PDB_id
Cif _struct_conn.ptnr1_label_asym_id
Cif _struct_conn.ptnr1_label_comp_id
Cif _struct_conn.ptnr1_label_seq_id
Cif _struct_conn.ptnr1_label_atom_id
Cif _struct_conn.pdbx_ptnr1_label_alt_id
Cif _struct_conn.pdbx_ptnr1_PDB_ins_code
Cif _struct_conn.pdbx_ptnr1_standard_comp_id
Cif _struct_conn.ptnr1_symmetry
Cif _struct_conn.ptnr2_label_asym_id
Cif _struct_conn.ptnr2_label_comp_id
Cif _struct_conn.ptnr2_label_seq_id
Cif _struct_conn.ptnr2_label_atom_id
Cif _struct_conn.pdbx_ptnr2_label_alt_id
Cif _struct_conn.pdbx_ptnr2_PDB_ins_code
Cif _struct_conn.ptnr1_auth_asym_id
Cif _struct_conn.ptnr1_auth_comp_id
Cif _struct_conn.ptnr1_auth_seq_id
Cif _struct_conn.ptnr2_auth_asym_id
Cif _struct_conn.ptnr2_auth_comp_id
Cif _struct_conn.ptnr2_auth_seq_id
Cif _struct_conn.ptnr2_symmetry
Cif _struct_conn.pdbx_ptnr3_label_atom_id
Cif _struct_conn.pdbx_ptnr3_label_seq_id
Cif _struct_conn.pdbx_ptnr3_label_comp_id
Cif _struct_conn.pdbx_ptnr3_label_asym_id
Cif _struct_conn.pdbx_ptnr3_label_alt_id
Cif _struct_conn.pdbx_ptnr3_PDB_ins_code
Cif _struct_conn.details
Cif _struct_conn.pdbx_dist_value
Cif _struct_conn.pdbx_value_order
Cif _struct_conn.pdbx_role
Cif _struct_conn_type.id
Cif _struct_conn_type.criteria
Cif _struct_conn_type.reference
Cif _struct_mon_prot_cis.pdbx_id
Cif _struct_mon_prot_cis.label_comp_id
Cif _struct_mon_prot_cis.label_seq_id
Cif _struct_mon_prot_cis.label_asym_id
Cif _struct_mon_prot_cis.label_alt_id
Cif _struct_mon_prot_cis.pdbx_PDB_ins_code
Cif _struct_mon_prot_cis.auth_comp_id
Cif _struct_mon_prot_cis.auth_seq_id
Cif _struct_mon_prot_cis.auth_asym_id
Cif _struct_mon_prot_cis.pdbx_label_comp_id_2
Cif _struct_mon_prot_cis.pdbx_label_seq_id_2
Cif _struct_mon_prot_cis.pdbx_label_asym_id_2
Cif _struct_mon_prot_cis.pdbx_PDB_ins_code_2
Cif _struct_mon_prot_cis.pdbx_auth_comp_id_2
Cif _struct_mon_prot_cis.pdbx_auth_seq_id_2
Cif _struct_mon_prot_cis.pdbx_auth_asym_id_2
Cif _struct_mon_prot_cis.pdbx_PDB_model_num
Cif _struct_mon_prot_cis.pdbx_omega_angle
Cif _atom_sites.entry_id
Cif _atom_sites.solution_primary
Cif _atom_sites.solution_secondary
Cif _atom_sites.solution_hydrogens
Cif _atom_sites.special_details
Cif _atom_site_anisotrop.pdbx_auth_asym_id
Cif _pdbx_struct_assembly.id
Cif _pdbx_struct_assembly.details
Cif _pdbx_struct_assembly.method_details
Cif _pdbx_struct_assembly.oligomeric_details
Cif _pdbx_struct_assembly.oligomeric_count
Cif _pdbx_struct_assembly_gen.assembly_id
Cif _pdbx_struct_assembly_gen.oper_expression
Cif _pdbx_struct_assembly_gen.asym_id_list
Cif _pdbx_struct_special_symmetry.id
Cif _pdbx_struct_special_symmetry.PDB_model_num
Cif _pdbx_struct_special_symmetry.auth_asym_id
Cif _pdbx_struct_special_symmetry.auth_comp_id
Cif _pdbx_struct_special_symmetry.auth_seq_id
Cif _pdbx_struct_special_symmetry.PDB_ins_code
Cif _pdbx_struct_special_symmetry.label_asym_id
Cif _pdbx_struct_special_symmetry.label_comp_id
Cif _pdbx_struct_special_symmetry.label_seq_id
Cif _pdbx_audit_revision_history.ordinal
Cif _pdbx_audit_revision_history.data_content_type
Cif _pdbx_audit_revision_history.major_revision
Cif _pdbx_audit_revision_history.minor_revision
Cif _pdbx_audit_revision_history.revision_date
Cif _pdbx_audit_revision_details.ordinal
Cif _pdbx_audit_revision_details.revision_ordinal
Cif _pdbx_audit_revision_details.data_content_type
Cif _pdbx_audit_revision_details.provider
Cif _pdbx_audit_revision_details.type
Cif _pdbx_audit_revision_details.description
Cif _pdbx_audit_revision_details.details
Cif _pdbx_refine_tls.id
Cif _pdbx_refine_tls.pdbx_refine_id
Cif _pdbx_refine_tls.details
Cif _pdbx_refine_tls.method
Cif _pdbx_refine_tls.origin_x
Cif _pdbx_refine_tls.origin_y
Cif _pdbx_refine_tls.origin_z
Cif _pdbx_refine_tls_group.id
Cif _pdbx_refine_tls_group.pdbx_refine_id
Cif _pdbx_refine_tls_group.refine_tls_id
Cif _pdbx_refine_tls_group.beg_label_asym_id
Cif _pdbx_refine_tls_group.beg_label_seq_id
Cif _pdbx_refine_tls_group.beg_auth_asym_id
Cif _pdbx_refine_tls_group.beg_auth_seq_id
Cif _pdbx_refine_tls_group.beg_PDB_ins_code
Cif _pdbx_refine_tls_group.end_label_asym_id
Cif _pdbx_refine_tls_group.end_label_seq_id
Cif _pdbx_refine_tls_group.end_auth_asym_id
Cif _pdbx_refine_tls_group.end_auth_seq_id
Cif _pdbx_refine_tls_group.end_PDB_ins_code
Cif _pdbx_refine_tls_group.selection
Cif _pdbx_refine_tls_group.selection_details
Cif _pdbx_entry_details.entry_id
Cif _pdbx_entry_details.has_ligand_of_interest
Cif _pdbx_entry_details.compound_details
Cif _pdbx_entry_details.source_details
Cif _pdbx_entry_details.nonpolymer_details
Cif _pdbx_entry_details.sequence_details
Cif _pdbx_entity_instance_feature.ordinal
Cif _pdbx_entity_instance_feature.comp_id
Cif _pdbx_entity_instance_feature.asym_id
Cif _pdbx_entity_instance_feature.seq_num
Cif _pdbx_entity_instance_feature.auth_comp_id
Cif _pdbx_entity_instance_feature.auth_asym_id
Cif _pdbx_entity_instance_feature.auth_seq_num
Cif _pdbx_entity_instance_feature.feature_type
Cif _pdbx_entity_instance_feature.details
Cif _pdbx_struct_assembly_auth_evidence.id
Cif _pdbx_struct_assembly_auth_evidence.assembly_id
Cif _pdbx_struct_assembly_auth_evidence.experimental_support
Cif _pdbx_struct_assembly_auth_evidence.details
see Loop Cif keys
0 Cif _database_2 LoopLength = 2
0 Cif _database_2 ListOfLines
0 Cif _database_2.database_id
0 Cif _database_2.database_code
0 Cif _database_2.pdbx_database_accession
0 Cif _database_2.pdbx_DOI
1 Cif _audit_author LoopLength = 3
1 Cif _audit_author ListOfLines
1 Cif _audit_author.name
1 Cif _audit_author.pdbx_ordinal
1 Cif _audit_author.identifier_ORCID
2 Cif _citation_author LoopLength = 3
2 Cif _citation_author ListOfLines
2 Cif _citation_author.citation_id
2 Cif _citation_author.name
2 Cif _citation_author.ordinal
2 Cif _citation_author.identifier_ORCID
3 Cif _entity LoopLength = 8
3 Cif _entity ListOfLines
3 Cif _entity.id
3 Cif _entity.type
3 Cif _entity.src_method
3 Cif _entity.pdbx_description
3 Cif _entity.formula_weight
3 Cif _entity.pdbx_number_of_molecules
3 Cif _entity.pdbx_ec
3 Cif _entity.pdbx_mutation
3 Cif _entity.pdbx_fragment
3 Cif _entity.details
4 Cif _entity_poly_seq LoopLength = 500
4 Cif _entity_poly_seq ListOfLines
4 Cif _entity_poly_seq.entity_id
4 Cif _entity_poly_seq.num
4 Cif _entity_poly_seq.mon_id
4 Cif _entity_poly_seq.hetero
5 Cif _struct_ref_seq_dif LoopLength = 3
5 Cif _struct_ref_seq_dif ListOfLines
5 Cif _struct_ref_seq_dif.align_id
5 Cif _struct_ref_seq_dif.pdbx_pdb_id_code
5 Cif _struct_ref_seq_dif.mon_id
5 Cif _struct_ref_seq_dif.pdbx_pdb_strand_id
5 Cif _struct_ref_seq_dif.seq_num
5 Cif _struct_ref_seq_dif.pdbx_pdb_ins_code
5 Cif _struct_ref_seq_dif.pdbx_seq_db_name
5 Cif _struct_ref_seq_dif.pdbx_seq_db_accession_code
5 Cif _struct_ref_seq_dif.db_mon_id
5 Cif _struct_ref_seq_dif.pdbx_seq_db_seq_num
5 Cif _struct_ref_seq_dif.details
5 Cif _struct_ref_seq_dif.pdbx_auth_seq_num
5 Cif _struct_ref_seq_dif.pdbx_ordinal
6 Cif _chem_comp LoopLength = 27
6 Cif _chem_comp ListOfLines
6 Cif _chem_comp.id
6 Cif _chem_comp.type
6 Cif _chem_comp.mon_nstd_flag
6 Cif _chem_comp.name
6 Cif _chem_comp.pdbx_synonyms
6 Cif _chem_comp.formula
6 Cif _chem_comp.formula_weight
7 Cif _refine_ls_shell LoopLength = 18
7 Cif _refine_ls_shell ListOfLines
7 Cif _refine_ls_shell.pdbx_refine_id
7 Cif _refine_ls_shell.d_res_high
7 Cif _refine_ls_shell.d_res_low
7 Cif _refine_ls_shell.number_reflns_all
7 Cif _refine_ls_shell.number_reflns_obs
7 Cif _refine_ls_shell.number_reflns_R_free
7 Cif _refine_ls_shell.number_reflns_R_work
7 Cif _refine_ls_shell.percent_reflns_obs
7 Cif _refine_ls_shell.percent_reflns_R_free
7 Cif _refine_ls_shell.R_factor_all
7 Cif _refine_ls_shell.R_factor_obs
7 Cif _refine_ls_shell.R_factor_R_free
7 Cif _refine_ls_shell.R_factor_R_free_error
7 Cif _refine_ls_shell.R_factor_R_work
7 Cif _refine_ls_shell.redundancy_reflns_all
7 Cif _refine_ls_shell.redundancy_reflns_obs
7 Cif _refine_ls_shell.wR_factor_all
7 Cif _refine_ls_shell.wR_factor_obs
7 Cif _refine_ls_shell.wR_factor_R_free
7 Cif _refine_ls_shell.wR_factor_R_work
7 Cif _refine_ls_shell.pdbx_R_complete
7 Cif _refine_ls_shell.pdbx_total_number_of_bins_used
7 Cif _refine_ls_shell.pdbx_phase_error
7 Cif _refine_ls_shell.pdbx_fsc_work
7 Cif _refine_ls_shell.pdbx_fsc_free
8 Cif _struct_asym LoopLength = 10
8 Cif _struct_asym ListOfLines
8 Cif _struct_asym.id
8 Cif _struct_asym.pdbx_blank_PDB_chainid_flag
8 Cif _struct_asym.pdbx_modified
8 Cif _struct_asym.entity_id
8 Cif _struct_asym.details
9 Cif _struct_conf LoopLength = 16
9 Cif _struct_conf ListOfLines
9 Cif _struct_conf.conf_type_id
9 Cif _struct_conf.id
9 Cif _struct_conf.pdbx_PDB_helix_id
9 Cif _struct_conf.beg_label_comp_id
9 Cif _struct_conf.beg_label_asym_id
9 Cif _struct_conf.beg_label_seq_id
9 Cif _struct_conf.pdbx_beg_PDB_ins_code
9 Cif _struct_conf.end_label_comp_id
9 Cif _struct_conf.end_label_asym_id
9 Cif _struct_conf.end_label_seq_id
9 Cif _struct_conf.pdbx_end_PDB_ins_code
9 Cif _struct_conf.beg_auth_comp_id
9 Cif _struct_conf.beg_auth_asym_id
9 Cif _struct_conf.beg_auth_seq_id
9 Cif _struct_conf.end_auth_comp_id
9 Cif _struct_conf.end_auth_asym_id
9 Cif _struct_conf.end_auth_seq_id
9 Cif _struct_conf.pdbx_PDB_helix_class
9 Cif _struct_conf.details
9 Cif _struct_conf.pdbx_PDB_helix_length
10 Cif _struct_sheet LoopLength = 5
10 Cif _struct_sheet ListOfLines
10 Cif _struct_sheet.id
10 Cif _struct_sheet.type
10 Cif _struct_sheet.number_strands
10 Cif _struct_sheet.details
11 Cif _struct_sheet_order LoopLength = 18
11 Cif _struct_sheet_order ListOfLines
11 Cif _struct_sheet_order.sheet_id
11 Cif _struct_sheet_order.range_id_1
11 Cif _struct_sheet_order.range_id_2
11 Cif _struct_sheet_order.offset
11 Cif _struct_sheet_order.sense
12 Cif _struct_sheet_range LoopLength = 23
12 Cif _struct_sheet_range ListOfLines
12 Cif _struct_sheet_range.sheet_id
12 Cif _struct_sheet_range.id
12 Cif _struct_sheet_range.beg_label_comp_id
12 Cif _struct_sheet_range.beg_label_asym_id
12 Cif _struct_sheet_range.beg_label_seq_id
12 Cif _struct_sheet_range.pdbx_beg_PDB_ins_code
12 Cif _struct_sheet_range.end_label_comp_id
12 Cif _struct_sheet_range.end_label_asym_id
12 Cif _struct_sheet_range.end_label_seq_id
12 Cif _struct_sheet_range.pdbx_end_PDB_ins_code
12 Cif _struct_sheet_range.beg_auth_comp_id
12 Cif _struct_sheet_range.beg_auth_asym_id
12 Cif _struct_sheet_range.beg_auth_seq_id
12 Cif _struct_sheet_range.end_auth_comp_id
12 Cif _struct_sheet_range.end_auth_asym_id
12 Cif _struct_sheet_range.end_auth_seq_id
13 Cif _pdbx_struct_sheet_hbond LoopLength = 18
13 Cif _pdbx_struct_sheet_hbond ListOfLines
13 Cif _pdbx_struct_sheet_hbond.sheet_id
13 Cif _pdbx_struct_sheet_hbond.range_id_1
13 Cif _pdbx_struct_sheet_hbond.range_id_2
13 Cif _pdbx_struct_sheet_hbond.range_1_label_atom_id
13 Cif _pdbx_struct_sheet_hbond.range_1_label_comp_id
13 Cif _pdbx_struct_sheet_hbond.range_1_label_asym_id
13 Cif _pdbx_struct_sheet_hbond.range_1_label_seq_id
13 Cif _pdbx_struct_sheet_hbond.range_1_PDB_ins_code
13 Cif _pdbx_struct_sheet_hbond.range_1_auth_atom_id
13 Cif _pdbx_struct_sheet_hbond.range_1_auth_comp_id
13 Cif _pdbx_struct_sheet_hbond.range_1_auth_asym_id
13 Cif _pdbx_struct_sheet_hbond.range_1_auth_seq_id
13 Cif _pdbx_struct_sheet_hbond.range_2_label_atom_id
13 Cif _pdbx_struct_sheet_hbond.range_2_label_comp_id
13 Cif _pdbx_struct_sheet_hbond.range_2_label_asym_id
13 Cif _pdbx_struct_sheet_hbond.range_2_label_seq_id
13 Cif _pdbx_struct_sheet_hbond.range_2_PDB_ins_code
13 Cif _pdbx_struct_sheet_hbond.range_2_auth_atom_id
13 Cif _pdbx_struct_sheet_hbond.range_2_auth_comp_id
13 Cif _pdbx_struct_sheet_hbond.range_2_auth_asym_id
13 Cif _pdbx_struct_sheet_hbond.range_2_auth_seq_id
14 Cif _atom_type LoopLength = 5
14 Cif _atom_type ListOfLines
14 Cif _atom_type.symbol
15 Cif _atom_site LoopLength = 4205
15 Cif _atom_site ListOfLines
15 Cif _atom_site.group_PDB
15 Cif _atom_site.id
15 Cif _atom_site.type_symbol
15 Cif _atom_site.label_atom_id
15 Cif _atom_site.label_alt_id
15 Cif _atom_site.label_comp_id
15 Cif _atom_site.label_asym_id
15 Cif _atom_site.label_entity_id
15 Cif _atom_site.label_seq_id
15 Cif _atom_site.pdbx_PDB_ins_code
15 Cif _atom_site.Cartn_x
15 Cif _atom_site.Cartn_y
15 Cif _atom_site.Cartn_z
15 Cif _atom_site.occupancy
15 Cif _atom_site.B_iso_or_equiv
15 Cif _atom_site.pdbx_formal_charge
15 Cif _atom_site.auth_seq_id
15 Cif _atom_site.auth_comp_id
15 Cif _atom_site.auth_asym_id
15 Cif _atom_site.auth_atom_id
15 Cif _atom_site.pdbx_PDB_model_num
16 Cif _atom_site_anisotrop LoopLength = 1
16 Cif _atom_site_anisotrop ListOfLines
16 Cif _atom_site_anisotrop.id
16 Cif _atom_site_anisotrop.type_symbol
16 Cif _atom_site_anisotrop.pdbx_label_atom_id
16 Cif _atom_site_anisotrop.pdbx_label_alt_id
16 Cif _atom_site_anisotrop.pdbx_label_comp_id
16 Cif _atom_site_anisotrop.pdbx_label_asym_id
16 Cif _atom_site_anisotrop.pdbx_label_seq_id
16 Cif _atom_site_anisotrop.pdbx_PDB_ins_code
17 Cif _pdbx_poly_seq_scheme LoopLength = 500
17 Cif _pdbx_poly_seq_scheme ListOfLines
17 Cif _pdbx_poly_seq_scheme.asym_id
17 Cif _pdbx_poly_seq_scheme.entity_id
17 Cif _pdbx_poly_seq_scheme.seq_id
17 Cif _pdbx_poly_seq_scheme.mon_id
17 Cif _pdbx_poly_seq_scheme.ndb_seq_num
17 Cif _pdbx_poly_seq_scheme.pdb_seq_num
17 Cif _pdbx_poly_seq_scheme.auth_seq_num
17 Cif _pdbx_poly_seq_scheme.pdb_mon_id
17 Cif _pdbx_poly_seq_scheme.auth_mon_id
17 Cif _pdbx_poly_seq_scheme.pdb_strand_id
17 Cif _pdbx_poly_seq_scheme.pdb_ins_code
17 Cif _pdbx_poly_seq_scheme.hetero
18 Cif _pdbx_nonpoly_scheme LoopLength = 217
18 Cif _pdbx_nonpoly_scheme ListOfLines
18 Cif _pdbx_nonpoly_scheme.asym_id
18 Cif _pdbx_nonpoly_scheme.entity_id
18 Cif _pdbx_nonpoly_scheme.mon_id
18 Cif _pdbx_nonpoly_scheme.ndb_seq_num
18 Cif _pdbx_nonpoly_scheme.pdb_seq_num
18 Cif _pdbx_nonpoly_scheme.auth_seq_num
18 Cif _pdbx_nonpoly_scheme.pdb_mon_id
18 Cif _pdbx_nonpoly_scheme.auth_mon_id
18 Cif _pdbx_nonpoly_scheme.pdb_strand_id
18 Cif _pdbx_nonpoly_scheme.pdb_ins_code
19 Cif _pdbx_struct_assembly_prop LoopLength = 3
19 Cif _pdbx_struct_assembly_prop ListOfLines
19 Cif _pdbx_struct_assembly_prop.biol_id
19 Cif _pdbx_struct_assembly_prop.type
19 Cif _pdbx_struct_assembly_prop.value
19 Cif _pdbx_struct_assembly_prop.details
20 Cif _pdbx_struct_oper_list LoopLength = 11
20 Cif _pdbx_struct_oper_list ListOfLines
20 Cif _pdbx_struct_oper_list.id
20 Cif _pdbx_struct_oper_list.type
20 Cif _pdbx_struct_oper_list.name
20 Cif _pdbx_struct_oper_list.symmetry_operation
21 Cif _software LoopLength = 5
21 Cif _software ListOfLines
21 Cif _software.citation_id
21 Cif _software.classification
21 Cif _software.compiler_name
21 Cif _software.compiler_version
21 Cif _software.contact_author
21 Cif _software.contact_author_email
21 Cif _software.date
21 Cif _software.description
21 Cif _software.dependencies
21 Cif _software.hardware
21 Cif _software.language
21 Cif _software.location
21 Cif _software.mods
21 Cif _software.name
21 Cif _software.os
21 Cif _software.os_version
21 Cif _software.type
21 Cif _software.version
21 Cif _software.pdbx_ordinal
22 Cif _pdbx_validate_torsion LoopLength = 3
22 Cif _pdbx_validate_torsion ListOfLines
22 Cif _pdbx_validate_torsion.id
22 Cif _pdbx_validate_torsion.PDB_model_num
22 Cif _pdbx_validate_torsion.auth_comp_id
22 Cif _pdbx_validate_torsion.auth_asym_id
22 Cif _pdbx_validate_torsion.auth_seq_id
22 Cif _pdbx_validate_torsion.PDB_ins_code
22 Cif _pdbx_validate_torsion.label_alt_id
22 Cif _pdbx_validate_torsion.phi
22 Cif _pdbx_validate_torsion.psi
23 Cif _pdbx_unobs_or_zero_occ_atoms LoopLength = 84
23 Cif _pdbx_unobs_or_zero_occ_atoms ListOfLines
23 Cif _pdbx_unobs_or_zero_occ_atoms.id
23 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
23 Cif _pdbx_unobs_or_zero_occ_atoms.polymer_flag
23 Cif _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
23 Cif _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
23 Cif _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.label_alt_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.label_asym_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.label_comp_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.label_seq_id
23 Cif _pdbx_unobs_or_zero_occ_atoms.label_atom_id
24 Cif _pdbx_unobs_or_zero_occ_residues LoopLength = 16
24 Cif _pdbx_unobs_or_zero_occ_residues ListOfLines
24 Cif _pdbx_unobs_or_zero_occ_residues.id
24 Cif _pdbx_unobs_or_zero_occ_residues.PDB_model_num
24 Cif _pdbx_unobs_or_zero_occ_residues.polymer_flag
24 Cif _pdbx_unobs_or_zero_occ_residues.occupancy_flag
24 Cif _pdbx_unobs_or_zero_occ_residues.auth_asym_id
24 Cif _pdbx_unobs_or_zero_occ_residues.auth_comp_id
24 Cif _pdbx_unobs_or_zero_occ_residues.auth_seq_id
24 Cif _pdbx_unobs_or_zero_occ_residues.PDB_ins_code
24 Cif _pdbx_unobs_or_zero_occ_residues.label_asym_id
24 Cif _pdbx_unobs_or_zero_occ_residues.label_comp_id
24 Cif _pdbx_unobs_or_zero_occ_residues.label_seq_id
25 Cif _pdbx_entity_nonpoly LoopLength = 7
25 Cif _pdbx_entity_nonpoly ListOfLines
25 Cif _pdbx_entity_nonpoly.entity_id
25 Cif _pdbx_entity_nonpoly.name
25 Cif _pdbx_entity_nonpoly.comp_id
store/synthetases/7F9S.cif Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
About organisms
entity 1 gene_src_taxid 5811 gene_src_Name Toxoplasma gondii pdbx_org_TaxId 562 pdbx_org_Name Escherichia coli
entity 1 gene_host_taxid 562 gene_host_Name Escherichia coli pdbx_org_TaxId 562 pdbx_org_Name Escherichia coli
LabAsym AutAsym Entity
A A 1 polymer man Prolyl-tRNA
B A 2 non-polymer syn {4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide}
C A 3 non-polymer syn {3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one}
D A 4 non-polymer syn BICINE
E A 5 non-polymer syn GLYCEROL
F A 6 non-polymer syn BETA-MERCAPTOETHANOL
G A 7 non-polymer syn FORMIC
H A 7 non-polymer syn FORMIC
I A 7 non-polymer syn FORMIC
J A 8 water nat water
ValuesOf SimpleKeys
_entry.id 7F9S
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.361
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
_pdbx_database_status.status_code REL
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.entry_id 7F9S
_pdbx_database_status.recvd_initial_deposition_date 2021-07-04
_pdbx_database_status.SG_entry N
_pdbx_database_status.deposit_site PDBJ
_pdbx_database_status.process_site PDBJ
_pdbx_database_status.status_code_cs ?
_pdbx_database_status.status_code_nmr_data ?
_pdbx_database_status.methods_development_category ?
_pdbx_database_status.pdb_format_compatible Y
_citation.abstract ?
_citation.abstract_id_CAS ?
_citation.book_id_ISBN ?
_citation.book_publisher ?
_citation.book_publisher_city ?
_citation.book_title ?
_citation.coordinate_linkage ?
_citation.country ?
_citation.database_id_Medline ?
_citation.details ?
_citation.id primary
_citation.journal_abbrev To Be Published
_citation.journal_id_ASTM ?
_citation.journal_id_CSD 0353
_citation.journal_id_ISSN ?
_citation.journal_full ?
_citation.journal_issue ?
_citation.journal_volume ?
_citation.language ?
_citation.page_first ?
_citation.page_last ?
_citation.title TgPRS with double inhibitors
_citation.year ?
_citation.database_id_CSD ?
_citation.pdbx_database_id_DOI ?
_citation.pdbx_database_id_PubMed ?
_citation.pdbx_database_id_patent ?
_citation.unpublished_flag ?
_cell.angle_alpha 90.000
_cell.angle_alpha_esd ?
_cell.angle_beta 111.390
_cell.angle_beta_esd ?
_cell.angle_gamma 90.000
_cell.angle_gamma_esd ?
_cell.entry_id 7F9S
_cell.details ?
_cell.formula_units_Z ?
_cell.length_a 116.510
_cell.length_a_esd ?
_cell.length_b 73.650
_cell.length_b_esd ?
_cell.length_c 75.030
_cell.length_c_esd ?
_cell.volume ?
_cell.volume_esd ?
_cell.Z_PDB 4
_cell.reciprocal_angle_alpha ?
_cell.reciprocal_angle_beta ?
_cell.reciprocal_angle_gamma ?
_cell.reciprocal_angle_alpha_esd ?
_cell.reciprocal_angle_beta_esd ?
_cell.reciprocal_angle_gamma_esd ?
_cell.reciprocal_length_a ?
_cell.reciprocal_length_b ?
_cell.reciprocal_length_c ?
_cell.reciprocal_length_a_esd ?
_cell.reciprocal_length_b_esd ?
_cell.reciprocal_length_c_esd ?
_cell.pdbx_unique_axis ?
_symmetry.entry_id 7F9S
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 5
_symmetry.space_group_name_Hall ?
_symmetry.space_group_name_H-M C 1 2 1
_symmetry.pdbx_full_space_group_name_H-M ?
_entity_poly.entity_id 1
_entity_poly.type polypeptide(L)
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer no
_entity_poly.pdbx_seq_one_letter_code GAMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDDEIKKMGVENSYFPMFVSRHKLEKEKD
HVEGFSPEVAWVTHYGDSPLPEKIAIRPTSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEG
HTAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEAFIPENGRGIQAATSHLLGTNFAKMF
EIEFEDEEGHKRLVHQTSWGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTMLEKAD
IRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKA
RLHEGIEKISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDSEQVMTGAMKTLCIPFDQPPMPEG
TKCFYTGKPAKRWTLWGRSY
_entity_poly.pdbx_seq_one_letter_code_can GAMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDDEIKKMGVENSYFPMFVSRHKLEKEKD
HVEGFSPEVAWVTHYGDSPLPEKIAIRPTSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEG
HTAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEAFIPENGRGIQAATSHLLGTNFAKMF
EIEFEDEEGHKRLVHQTSWGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTMLEKAD
IRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKA
RLHEGIEKISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDSEQVMTGAMKTLCIPFDQPPMPEG
TKCFYTGKPAKRWTLWGRSY
_entity_poly.pdbx_strand_id A
_entity_poly.pdbx_target_identifier ?
_entity_src_gen.entity_id 1
_entity_src_gen.pdbx_src_id 1
_entity_src_gen.pdbx_alt_source_flag sample
_entity_src_gen.pdbx_seq_type Biological sequence
_entity_src_gen.pdbx_beg_seq_num 1
_entity_src_gen.pdbx_end_seq_num 500
_entity_src_gen.gene_src_common_name ?
_entity_src_gen.gene_src_genus ?
_entity_src_gen.pdbx_gene_src_gene TGRH88_057780
_entity_src_gen.gene_src_species ?
_entity_src_gen.gene_src_strain ?
_entity_src_gen.gene_src_tissue ?
_entity_src_gen.gene_src_tissue_fraction ?
_entity_src_gen.gene_src_details ?
_entity_src_gen.pdbx_gene_src_fragment ?
_entity_src_gen.pdbx_gene_src_scientific_name Toxoplasma gondii
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5811
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name Escherichia coli
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus ?
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain ?
_entity_src_gen.pdbx_host_org_variant ?
_entity_src_gen.pdbx_host_org_cell_line ?
_entity_src_gen.pdbx_host_org_atcc ?
_entity_src_gen.pdbx_host_org_culture_collection ?
_entity_src_gen.pdbx_host_org_cell ?
_entity_src_gen.pdbx_host_org_organelle ?
_entity_src_gen.pdbx_host_org_cellular_location ?
_entity_src_gen.pdbx_host_org_vector_type ?
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.host_org_details ?
_entity_src_gen.expression_system_id ?
_entity_src_gen.plasmid_name ?
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code A0A7J6JUK2_TOXGO
_struct_ref.pdbx_db_accession A0A7J6JUK2
_struct_ref.pdbx_db_isoform ?
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code VTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDDEIKKMGVENSYFPMFVSRHKLEKEKDHVE
GFSPEVAWVTHYGDSPLPEKIAIRPTSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEGHTA
HATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEAFIPENGRGIQAATSHLLGTNFAKMFEIE
FEDEEGHKRLVHQTSWGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTMLEKADIRV
RIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLH
EGIEKISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDSEQVMTGAMKTLCIPFDQPPMPEGTKC
FYTGKPAKRWTLWGRSY
_struct_ref.pdbx_align_begin 215
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 7F9S
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 4
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 500
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession A0A7J6JUK2
_struct_ref_seq.db_align_beg 215
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 711
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 334
_struct_ref_seq.pdbx_auth_seq_align_end 830
_exptl.absorpt_coefficient_mu ?
_exptl.absorpt_correction_T_max ?
_exptl.absorpt_correction_T_min ?
_exptl.absorpt_correction_type ?
_exptl.absorpt_process_details ?
_exptl.entry_id 7F9S
_exptl.crystals_number 1
_exptl.details ?
_exptl.method X-RAY DIFFRACTION
_exptl.method_details ?
_exptl_crystal.colour ?
_exptl_crystal.density_diffrn ?
_exptl_crystal.density_Matthews 2.59
_exptl_crystal.density_method ?
_exptl_crystal.density_percent_sol 52.45
_exptl_crystal.description ?
_exptl_crystal.F_000 ?
_exptl_crystal.id 1
_exptl_crystal.preparation ?
_exptl_crystal.size_max ?
_exptl_crystal.size_mid ?
_exptl_crystal.size_min ?
_exptl_crystal.size_rad ?
_exptl_crystal.colour_lustre ?
_exptl_crystal.colour_modifier ?
_exptl_crystal.colour_primary ?
_exptl_crystal.density_meas ?
_exptl_crystal.density_meas_esd ?
_exptl_crystal.density_meas_gt ?
_exptl_crystal.density_meas_lt ?
_exptl_crystal.density_meas_temp ?
_exptl_crystal.density_meas_temp_esd ?
_exptl_crystal.density_meas_temp_gt ?
_exptl_crystal.density_meas_temp_lt ?
_exptl_crystal.pdbx_crystal_image_url ?
_exptl_crystal.pdbx_crystal_image_format ?
_exptl_crystal.pdbx_mosaicity ?
_exptl_crystal.pdbx_mosaicity_esd ?
_exptl_crystal_grow.apparatus ?
_exptl_crystal_grow.atmosphere ?
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.details ?
_exptl_crystal_grow.method VAPOR DIFFUSION, HANGING DROP
_exptl_crystal_grow.method_ref ?
_exptl_crystal_grow.pH ?
_exptl_crystal_grow.pressure ?
_exptl_crystal_grow.pressure_esd ?
_exptl_crystal_grow.seeding ?
_exptl_crystal_grow.seeding_ref ?
_exptl_crystal_grow.temp 293
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.temp_esd ?
_exptl_crystal_grow.time ?
_exptl_crystal_grow.pdbx_details 2 mM Divalents (0.005M Manganese(II) chloride tetrahydrate, 0.005M Cobalt(II) chloride hexahydrate , 0.005M Nickel(II) chloride hexahydrate, 0.005M Zinc acetate dihydrate), 32.5 % v/v Precipitant (25% w/v PEG 4000, 40% w/v 1,2,6-Hexanetriol)
_exptl_crystal_grow.pdbx_pH_range ?
_diffrn.ambient_environment ?
_diffrn.ambient_temp 100
_diffrn.ambient_temp_details ?
_diffrn.ambient_temp_esd ?
_diffrn.crystal_id 1
_diffrn.crystal_support ?
_diffrn.crystal_treatment ?
_diffrn.details ?
_diffrn.id 1
_diffrn.ambient_pressure ?
_diffrn.ambient_pressure_esd ?
_diffrn.ambient_pressure_gt ?
_diffrn.ambient_pressure_lt ?
_diffrn.ambient_temp_gt ?
_diffrn.ambient_temp_lt ?
_diffrn.pdbx_serial_crystal_experiment N
_diffrn_detector.details ?
_diffrn_detector.detector PIXEL
_diffrn_detector.diffrn_id 1
_diffrn_detector.type DECTRIS EIGER2 X 16M
_diffrn_detector.area_resol_mean ?
_diffrn_detector.dtime ?
_diffrn_detector.pdbx_frames_total ?
_diffrn_detector.pdbx_collection_time_total ?
_diffrn_detector.pdbx_collection_date 2019-09-28
_diffrn_detector.pdbx_frequency ?
_diffrn_radiation.collimation ?
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.filter_edge ?
_diffrn_radiation.inhomogeneity ?
_diffrn_radiation.monochromator ?
_diffrn_radiation.polarisn_norm ?
_diffrn_radiation.polarisn_ratio ?
_diffrn_radiation.probe ?
_diffrn_radiation.type ?
_diffrn_radiation.xray_symbol ?
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.pdbx_wavelength_list ?
_diffrn_radiation.pdbx_wavelength ?
_diffrn_radiation.pdbx_diffrn_protocol SINGLE WAVELENGTH
_diffrn_radiation.pdbx_analyzer ?
_diffrn_radiation.pdbx_scattering_type x-ray
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 0.9786
_diffrn_radiation_wavelength.wt 1.0
_diffrn_source.current ?
_diffrn_source.details ?
_diffrn_source.diffrn_id 1
_diffrn_source.power ?
_diffrn_source.size ?
_diffrn_source.source SYNCHROTRON
_diffrn_source.target ?
_diffrn_source.type SOLEIL BEAMLINE PROXIMA 1
_diffrn_source.voltage ?
_diffrn_source.take-off_angle ?
_diffrn_source.pdbx_wavelength_list 0.9786
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_synchrotron_beamline PROXIMA 1
_diffrn_source.pdbx_synchrotron_site SOLEIL
_reflns.B_iso_Wilson_estimate ?
_reflns.entry_id 7F9S
_reflns.data_reduction_details ?
_reflns.data_reduction_method ?
_reflns.d_resolution_high 1.86
_reflns.d_resolution_low 41.87
_reflns.details ?
_reflns.limit_h_max ?
_reflns.limit_h_min ?
_reflns.limit_k_max ?
_reflns.limit_k_min ?
_reflns.limit_l_max ?
_reflns.limit_l_min ?
_reflns.number_all ?
_reflns.number_obs 49540
_reflns.observed_criterion ?
_reflns.observed_criterion_F_max ?
_reflns.observed_criterion_F_min ?
_reflns.observed_criterion_I_max ?
_reflns.observed_criterion_I_min ?
_reflns.observed_criterion_sigma_F ?
_reflns.observed_criterion_sigma_I ?
_reflns.percent_possible_obs 99.7
_reflns.R_free_details ?
_reflns.Rmerge_F_all ?
_reflns.Rmerge_F_obs ?
_reflns.Friedel_coverage ?
_reflns.number_gt ?
_reflns.threshold_expression ?
_reflns.pdbx_redundancy 7.0
_reflns.pdbx_Rmerge_I_obs ?
_reflns.pdbx_Rmerge_I_all ?
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_netI_over_av_sigmaI ?
_reflns.pdbx_netI_over_sigmaI 21.8
_reflns.pdbx_res_netI_over_av_sigmaI_2 ?
_reflns.pdbx_res_netI_over_sigmaI_2 ?
_reflns.pdbx_chi_squared ?
_reflns.pdbx_scaling_rejects ?
_reflns.pdbx_d_res_high_opt ?
_reflns.pdbx_d_res_low_opt ?
_reflns.pdbx_d_res_opt_method ?
_reflns.phase_calculation_details ?
_reflns.pdbx_Rrim_I_all ?
_reflns.pdbx_Rpim_I_all ?
_reflns.pdbx_d_opt ?
_reflns.pdbx_number_measured_all ?
_reflns.pdbx_diffrn_id 1
_reflns.pdbx_ordinal 1
_reflns.pdbx_CC_half 1.0
_reflns.pdbx_CC_star ?
_reflns.pdbx_R_split ?
_reflns.pdbx_aniso_diffraction_limit_1 ?
_reflns.pdbx_aniso_diffraction_limit_2 ?
_reflns.pdbx_aniso_diffraction_limit_3 ?
_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ?
_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ?
_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ?
_reflns.pdbx_orthogonalization_convention ?
_reflns.pdbx_percent_possible_ellipsoidal ?
_reflns.pdbx_percent_possible_spherical ?
_reflns.pdbx_percent_possible_ellipsoidal_anomalous ?
_reflns.pdbx_percent_possible_spherical_anomalous ?
_reflns.pdbx_redundancy_anomalous ?
_reflns.pdbx_CC_half_anomalous ?
_reflns.pdbx_absDiff_over_sigma_anomalous ?
_reflns.pdbx_percent_possible_anomalous ?
_reflns.pdbx_observed_signal_threshold ?
_reflns.pdbx_signal_type ?
_reflns.pdbx_signal_details ?
_reflns.pdbx_signal_software_id ?
_reflns_shell.d_res_high 1.86
_reflns_shell.d_res_low 1.97
_reflns_shell.meanI_over_sigI_all ?
_reflns_shell.meanI_over_sigI_obs 1.68
_reflns_shell.number_measured_all ?
_reflns_shell.number_measured_obs ?
_reflns_shell.number_possible ?
_reflns_shell.number_unique_all ?
_reflns_shell.number_unique_obs 7923
_reflns_shell.percent_possible_all 98.9
_reflns_shell.percent_possible_obs ?
_reflns_shell.Rmerge_F_all ?
_reflns_shell.Rmerge_F_obs ?
_reflns_shell.Rmerge_I_all ?
_reflns_shell.Rmerge_I_obs ?
_reflns_shell.meanI_over_sigI_gt ?
_reflns_shell.meanI_over_uI_all ?
_reflns_shell.meanI_over_uI_gt ?
_reflns_shell.number_measured_gt ?
_reflns_shell.number_unique_gt ?
_reflns_shell.percent_possible_gt ?
_reflns_shell.Rmerge_F_gt ?
_reflns_shell.Rmerge_I_gt ?
_reflns_shell.pdbx_redundancy ?
_reflns_shell.pdbx_Rsym_value ?
_reflns_shell.pdbx_chi_squared ?
_reflns_shell.pdbx_netI_over_sigmaI_all ?
_reflns_shell.pdbx_netI_over_sigmaI_obs ?
_reflns_shell.pdbx_Rrim_I_all ?
_reflns_shell.pdbx_Rpim_I_all ?
_reflns_shell.pdbx_rejects ?
_reflns_shell.pdbx_ordinal 1
_reflns_shell.pdbx_diffrn_id 1
_reflns_shell.pdbx_CC_half 0.82
_reflns_shell.pdbx_CC_star ?
_reflns_shell.pdbx_R_split ?
_reflns_shell.pdbx_percent_possible_ellipsoidal ?
_reflns_shell.pdbx_percent_possible_spherical ?
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous ?
_reflns_shell.pdbx_percent_possible_spherical_anomalous ?
_reflns_shell.pdbx_redundancy_anomalous ?
_reflns_shell.pdbx_CC_half_anomalous ?
_reflns_shell.pdbx_absDiff_over_sigma_anomalous ?
_reflns_shell.pdbx_percent_possible_anomalous ?
_refine.B_iso_max 110.330
_refine.B_iso_mean 51.6367
_refine.B_iso_min 28.700
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.details ?
_refine.diff_density_max ?
_refine.diff_density_max_esd ?
_refine.diff_density_min ?
_refine.diff_density_min_esd ?
_refine.diff_density_rms ?
_refine.diff_density_rms_esd ?
_refine.entry_id 7F9S
_refine.pdbx_refine_id X-RAY DIFFRACTION
_refine.ls_abs_structure_details ?
_refine.ls_abs_structure_Flack ?
_refine.ls_abs_structure_Flack_esd ?
_refine.ls_abs_structure_Rogers ?
_refine.ls_abs_structure_Rogers_esd ?
_refine.ls_d_res_high 1.8610
_refine.ls_d_res_low 33.9960
_refine.ls_extinction_coef ?
_refine.ls_extinction_coef_esd ?
_refine.ls_extinction_expression ?
_refine.ls_extinction_method ?
_refine.ls_goodness_of_fit_all ?
_refine.ls_goodness_of_fit_all_esd ?
_refine.ls_goodness_of_fit_obs ?
_refine.ls_goodness_of_fit_obs_esd ?
_refine.ls_hydrogen_treatment ?
_refine.ls_matrix_type ?
_refine.ls_number_constraints ?
_refine.ls_number_parameters ?
_refine.ls_number_reflns_all ?
_refine.ls_number_reflns_obs 49526
_refine.ls_number_reflns_R_free 2477
_refine.ls_number_reflns_R_work 47049
_refine.ls_number_restraints ?
_refine.ls_percent_reflns_obs 99.7900
_refine.ls_percent_reflns_R_free 5.0000
_refine.ls_R_factor_all ?
_refine.ls_R_factor_obs 0.1741
_refine.ls_R_factor_R_free 0.2089
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_R_factor_R_work 0.1723
_refine.ls_R_Fsqd_factor_obs ?
_refine.ls_R_I_factor_obs ?
_refine.ls_redundancy_reflns_all ?
_refine.ls_redundancy_reflns_obs ?
_refine.ls_restrained_S_all ?
_refine.ls_restrained_S_obs ?
_refine.ls_shift_over_esd_max ?
_refine.ls_shift_over_esd_mean ?
_refine.ls_structure_factor_coef ?
_refine.ls_weighting_details ?
_refine.ls_weighting_scheme ?
_refine.ls_wR_factor_all ?
_refine.ls_wR_factor_obs ?
_refine.ls_wR_factor_R_free ?
_refine.ls_wR_factor_R_work ?
_refine.occupancy_max ?
_refine.occupancy_min ?
_refine.solvent_model_details FLAT BULK SOLVENT MODEL
_refine.solvent_model_param_bsol ?
_refine.solvent_model_param_ksol ?
_refine.pdbx_R_complete ?
_refine.ls_R_factor_gt ?
_refine.ls_goodness_of_fit_gt ?
_refine.ls_goodness_of_fit_ref ?
_refine.ls_shift_over_su_max ?
_refine.ls_shift_over_su_max_lt ?
_refine.ls_shift_over_su_mean ?
_refine.ls_shift_over_su_mean_lt ?
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F 1.350
_refine.pdbx_ls_sigma_Fsqd ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.pdbx_isotropic_thermal_model ?
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.pdbx_method_to_determine_struct MOLECULAR REPLACEMENT
_refine.pdbx_starting_model 5XIQ
_refine.pdbx_stereochemistry_target_values ML
_refine.pdbx_R_Free_selection_details ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.pdbx_solvent_vdw_probe_radii 1.1100
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii 0.9000
_refine.pdbx_real_space_R ?
_refine.pdbx_density_correlation ?
_refine.pdbx_pd_number_of_powder_patterns ?
_refine.pdbx_pd_number_of_points ?
_refine.pdbx_pd_meas_number_of_points ?
_refine.pdbx_pd_proc_ls_prof_R_factor ?
_refine.pdbx_pd_proc_ls_prof_wR_factor ?
_refine.pdbx_pd_Marquardt_correlation_coeff ?
_refine.pdbx_pd_Fsqrd_R_factor ?
_refine.pdbx_pd_ls_matrix_band_width ?
_refine.pdbx_overall_phase_error 24.3600
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.pdbx_diffrn_id 1
_refine.overall_SU_B ?
_refine.overall_SU_ML 0.2100
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.overall_FOM_free_R_set ?
_refine.overall_FOM_work_R_set ?
_refine.pdbx_average_fsc_overall ?
_refine.pdbx_average_fsc_work ?
_refine.pdbx_average_fsc_free ?
_refine_hist.pdbx_refine_id X-RAY DIFFRACTION
_refine_hist.cycle_id final
_refine_hist.details ?
_refine_hist.d_res_high 1.8610
_refine_hist.d_res_low 33.9960
_refine_hist.number_atoms_solvent 217
_refine_hist.number_atoms_total 4178
_refine_hist.number_reflns_all ?
_refine_hist.number_reflns_obs ?
_refine_hist.number_reflns_R_free ?
_refine_hist.number_reflns_R_work ?
_refine_hist.R_factor_all ?
_refine_hist.R_factor_obs ?
_refine_hist.R_factor_R_free ?
_refine_hist.R_factor_R_work ?
_refine_hist.pdbx_number_residues_total 484
_refine_hist.pdbx_B_iso_mean_ligand 50.56
_refine_hist.pdbx_B_iso_mean_solvent 57.51
_refine_hist.pdbx_number_atoms_protein 3873
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 88
_refine_hist.pdbx_number_atoms_lipid ?
_refine_hist.pdbx_number_atoms_carb ?
_refine_hist.pdbx_pseudo_atom_details ?
_struct.entry_id 7F9S
_struct.title Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
_struct.pdbx_model_details ?
_struct.pdbx_formula_weight ?
_struct.pdbx_formula_weight_method ?
_struct.pdbx_model_type_details ?
_struct.pdbx_CASP_flag N
_struct_keywords.entry_id 7F9S
_struct_keywords.text PROTEIN TRANSLATION, INHIBITOR, PRS, ATP POCKET, DOUBLE DRUG, LIGASE, LIGASE-LIGASE INHIBITOR complex
_struct_keywords.pdbx_keywords LIGASE/LIGASE INHIBITOR
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
_struct_conn.id covale1
_struct_conn.conn_type_id covale
_struct_conn.pdbx_leaving_atom_flag none
_struct_conn.pdbx_PDB_id ?
_struct_conn.ptnr1_label_asym_id A
_struct_conn.ptnr1_label_comp_id CYS
_struct_conn.ptnr1_label_seq_id 188
_struct_conn.ptnr1_label_atom_id SG
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_standard_comp_id ?
_struct_conn.ptnr1_symmetry 1_555
_struct_conn.ptnr2_label_asym_id F
_struct_conn.ptnr2_label_comp_id BME
_struct_conn.ptnr2_label_seq_id .
_struct_conn.ptnr2_label_atom_id S2
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.ptnr1_auth_asym_id A
_struct_conn.ptnr1_auth_comp_id CYS
_struct_conn.ptnr1_auth_seq_id 518
_struct_conn.ptnr2_auth_asym_id A
_struct_conn.ptnr2_auth_comp_id BME
_struct_conn.ptnr2_auth_seq_id 905
_struct_conn.ptnr2_symmetry 1_555
_struct_conn.pdbx_ptnr3_label_atom_id ?
_struct_conn.pdbx_ptnr3_label_seq_id ?
_struct_conn.pdbx_ptnr3_label_comp_id ?
_struct_conn.pdbx_ptnr3_label_asym_id ?
_struct_conn.pdbx_ptnr3_label_alt_id ?
_struct_conn.pdbx_ptnr3_PDB_ins_code ?
_struct_conn.details ?
_struct_conn.pdbx_dist_value 2.054
_struct_conn.pdbx_value_order ?
_struct_conn.pdbx_role ?
_struct_conn_type.id covale
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
_struct_mon_prot_cis.pdbx_id 1
_struct_mon_prot_cis.label_comp_id LEU
_struct_mon_prot_cis.label_seq_id 128
_struct_mon_prot_cis.label_asym_id A
_struct_mon_prot_cis.label_alt_id .
_struct_mon_prot_cis.pdbx_PDB_ins_code ?
_struct_mon_prot_cis.auth_comp_id LEU
_struct_mon_prot_cis.auth_seq_id 458
_struct_mon_prot_cis.auth_asym_id A
_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO
_struct_mon_prot_cis.pdbx_label_seq_id_2 129
_struct_mon_prot_cis.pdbx_label_asym_id_2 A
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ?
_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO
_struct_mon_prot_cis.pdbx_auth_seq_id_2 459
_struct_mon_prot_cis.pdbx_auth_asym_id_2 A
_struct_mon_prot_cis.pdbx_PDB_model_num 1
_struct_mon_prot_cis.pdbx_omega_angle 0.92
_atom_sites.entry_id 7F9S
_atom_sites.solution_primary ?
_atom_sites.solution_secondary ?
_atom_sites.solution_hydrogens ?
_atom_sites.special_details ?
_atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_and_software_defined_assembly
_pdbx_struct_assembly.method_details PISA
_pdbx_struct_assembly.oligomeric_details dimeric
_pdbx_struct_assembly.oligomeric_count 2
_pdbx_struct_assembly_gen.assembly_id 1
_pdbx_struct_assembly_gen.oper_expression 1,2
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J
_pdbx_struct_special_symmetry.id 1
_pdbx_struct_special_symmetry.PDB_model_num 1
_pdbx_struct_special_symmetry.auth_asym_id A
_pdbx_struct_special_symmetry.auth_comp_id HOH
_pdbx_struct_special_symmetry.auth_seq_id 1117
_pdbx_struct_special_symmetry.PDB_ins_code ?
_pdbx_struct_special_symmetry.label_asym_id J
_pdbx_struct_special_symmetry.label_comp_id HOH
_pdbx_struct_special_symmetry.label_seq_id .
_pdbx_audit_revision_history.ordinal 1
_pdbx_audit_revision_history.data_content_type Structure model
_pdbx_audit_revision_history.major_revision 1
_pdbx_audit_revision_history.minor_revision 0
_pdbx_audit_revision_history.revision_date 2022-10-05
_pdbx_audit_revision_details.ordinal 1
_pdbx_audit_revision_details.revision_ordinal 1
_pdbx_audit_revision_details.data_content_type Structure model
_pdbx_audit_revision_details.provider repository
_pdbx_audit_revision_details.type Initial release
_pdbx_audit_revision_details.description ?
_pdbx_audit_revision_details.details ?
_pdbx_refine_tls.id 1
_pdbx_refine_tls.pdbx_refine_id X-RAY DIFFRACTION
_pdbx_refine_tls.details ?
_pdbx_refine_tls.method refined
_pdbx_refine_tls.origin_x 15.4715
_pdbx_refine_tls.origin_y -0.1176
_pdbx_refine_tls.origin_z 7.9652
_pdbx_refine_tls_group.id 1
_pdbx_refine_tls_group.pdbx_refine_id X-RAY DIFFRACTION
_pdbx_refine_tls_group.refine_tls_id 1
_pdbx_refine_tls_group.beg_label_asym_id ?
_pdbx_refine_tls_group.beg_label_seq_id ?
_pdbx_refine_tls_group.beg_auth_asym_id ?
_pdbx_refine_tls_group.beg_auth_seq_id ?
_pdbx_refine_tls_group.beg_PDB_ins_code ?
_pdbx_refine_tls_group.end_label_asym_id ?
_pdbx_refine_tls_group.end_label_seq_id ?
_pdbx_refine_tls_group.end_auth_asym_id ?
_pdbx_refine_tls_group.end_auth_seq_id ?
_pdbx_refine_tls_group.end_PDB_ins_code ?
_pdbx_refine_tls_group.selection ?
_pdbx_refine_tls_group.selection_details all
_pdbx_entry_details.entry_id 7F9S
_pdbx_entry_details.has_ligand_of_interest Y
_pdbx_entry_details.compound_details ?
_pdbx_entry_details.source_details ?
_pdbx_entry_details.nonpolymer_details ?
_pdbx_entry_details.sequence_details ?
_pdbx_entity_instance_feature.ordinal 1
_pdbx_entity_instance_feature.comp_id 1TI
_pdbx_entity_instance_feature.asym_id ?
_pdbx_entity_instance_feature.seq_num ?
_pdbx_entity_instance_feature.auth_comp_id 1TI
_pdbx_entity_instance_feature.auth_asym_id ?
_pdbx_entity_instance_feature.auth_seq_num ?
_pdbx_entity_instance_feature.feature_type SUBJECT OF INVESTIGATION
_pdbx_entity_instance_feature.details ?
_pdbx_struct_assembly_auth_evidence.id 1
_pdbx_struct_assembly_auth_evidence.assembly_id 1
_pdbx_struct_assembly_auth_evidence.experimental_support gel filtration
_pdbx_struct_assembly_auth_evidence.details ?
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