Crystallographic Information File browser    Powered by zincr within Tanzer
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      This Crystallographic Information File browser gives acces to the content of the Cif file
      Data are stored in two ways, SimpleKey - value, or LoopKeys whith lists of values.
      
      First select a Cif file
            give a CifEntry (ie 1qru) it will be dowloaded from  https://files.rcsb.org/download/1qru.cif"
         or get existing files from the server
         or upload a cif file from your computer
      
      Some relevant data are automatically displayed on the main page
      In the left part of the page click on a GlobalKey, a SimpleKey or a LoopKey with subkey 

      Get help about available Cif functions with Cif Help, CifAsym Help, CifEntity Help, etc
      All these functions can be called in command line mode
          or from any other program querying gscope directly
          or through the CafeDesScience (qds Zero Cif Help)
          or as webservice (see Cif Help)
          

      See the 3d structure with the Ngl button
      
      Raymond
      
To get a Cif file :    Give a cif entry    or    Get a file from the server Get a file from the server and press    or    Upload your file Upload your file : first then select the server directory and ... current Cif store/synthetases/5W25.cif


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_related.db_name Cif _pdbx_database_related.details Cif _pdbx_database_related.db_id Cif _pdbx_database_related.content_type 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.methods_development_category Cif _pdbx_database_status.pdb_format_compatible Cif _audit_author.name Cif _audit_author.pdbx_ordinal Cif _audit_author.identifier_ORCID 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.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 _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 _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_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_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_R_split 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.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.cycle_id Cif _refine_hist.pdbx_refine_id Cif _refine_hist.d_res_high Cif _refine_hist.d_res_low Cif _refine_hist.pdbx_number_atoms_ligand Cif _refine_hist.number_atoms_solvent Cif _refine_hist.number_atoms_total 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 _struct.entry_id Cif _struct.title Cif _struct.pdbx_descriptor 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 _atom_sites.entry_id Cif _atom_site_anisotrop.pdbx_auth_asym_id Cif _pdbx_SG_project.id Cif _pdbx_SG_project.project_name Cif _pdbx_SG_project.full_name_of_center Cif _pdbx_SG_project.initial_of_center Cif _pdbx_struct_oper_list.id Cif _pdbx_struct_oper_list.type Cif _pdbx_struct_oper_list.name Cif _pdbx_struct_oper_list.symmetry_operation 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_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 1 Cif _citation_author LoopLength = 3 1 Cif _citation_author ListOfLines 1 Cif _citation_author.citation_id 1 Cif _citation_author.name 1 Cif _citation_author.ordinal 2 Cif _entity LoopLength = 5 2 Cif _entity ListOfLines 2 Cif _entity.id 2 Cif _entity.type 2 Cif _entity.src_method 2 Cif _entity.pdbx_description 2 Cif _entity.formula_weight 2 Cif _entity.pdbx_number_of_molecules 2 Cif _entity.pdbx_ec 2 Cif _entity.pdbx_mutation 2 Cif _entity.pdbx_fragment 2 Cif _entity.details 3 Cif _entity_name_com LoopLength = 2 3 Cif _entity_name_com ListOfLines 3 Cif _entity_name_com.entity_id 3 Cif _entity_name_com.name 4 Cif _entity_poly_seq LoopLength = 616 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 _entity_src_gen LoopLength = 2 5 Cif _entity_src_gen ListOfLines 5 Cif _entity_src_gen.entity_id 5 Cif _entity_src_gen.pdbx_src_id 5 Cif _entity_src_gen.pdbx_alt_source_flag 5 Cif _entity_src_gen.pdbx_seq_type 5 Cif _entity_src_gen.pdbx_beg_seq_num 5 Cif _entity_src_gen.pdbx_end_seq_num 5 Cif _entity_src_gen.gene_src_common_name 5 Cif _entity_src_gen.gene_src_genus 5 Cif _entity_src_gen.pdbx_gene_src_gene 5 Cif _entity_src_gen.gene_src_species 5 Cif _entity_src_gen.gene_src_strain 5 Cif _entity_src_gen.gene_src_tissue 5 Cif _entity_src_gen.gene_src_tissue_fraction 5 Cif _entity_src_gen.gene_src_details 5 Cif _entity_src_gen.pdbx_gene_src_fragment 5 Cif _entity_src_gen.pdbx_gene_src_scientific_name 5 Cif _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5 Cif _entity_src_gen.pdbx_gene_src_variant 5 Cif _entity_src_gen.pdbx_gene_src_cell_line 5 Cif _entity_src_gen.pdbx_gene_src_atcc 5 Cif _entity_src_gen.pdbx_gene_src_organ 5 Cif _entity_src_gen.pdbx_gene_src_organelle 5 Cif _entity_src_gen.pdbx_gene_src_cell 5 Cif _entity_src_gen.pdbx_gene_src_cellular_location 5 Cif _entity_src_gen.host_org_common_name 5 Cif _entity_src_gen.pdbx_host_org_scientific_name 5 Cif _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5 Cif _entity_src_gen.host_org_genus 5 Cif _entity_src_gen.pdbx_host_org_gene 5 Cif _entity_src_gen.pdbx_host_org_organ 5 Cif _entity_src_gen.host_org_species 5 Cif _entity_src_gen.pdbx_host_org_tissue 5 Cif _entity_src_gen.pdbx_host_org_tissue_fraction 5 Cif _entity_src_gen.pdbx_host_org_strain 5 Cif _entity_src_gen.pdbx_host_org_variant 5 Cif _entity_src_gen.pdbx_host_org_cell_line 5 Cif _entity_src_gen.pdbx_host_org_atcc 5 Cif _entity_src_gen.pdbx_host_org_culture_collection 5 Cif _entity_src_gen.pdbx_host_org_cell 5 Cif _entity_src_gen.pdbx_host_org_organelle 5 Cif _entity_src_gen.pdbx_host_org_cellular_location 5 Cif _entity_src_gen.pdbx_host_org_vector_type 5 Cif _entity_src_gen.pdbx_host_org_vector 5 Cif _entity_src_gen.host_org_details 5 Cif _entity_src_gen.expression_system_id 5 Cif _entity_src_gen.plasmid_name 5 Cif _entity_src_gen.plasmid_details 5 Cif _entity_src_gen.pdbx_description 6 Cif _struct_ref_seq LoopLength = 2 6 Cif _struct_ref_seq ListOfLines 6 Cif _struct_ref_seq.align_id 6 Cif _struct_ref_seq.ref_id 6 Cif _struct_ref_seq.pdbx_PDB_id_code 6 Cif _struct_ref_seq.pdbx_strand_id 6 Cif _struct_ref_seq.seq_align_beg 6 Cif _struct_ref_seq.pdbx_seq_align_beg_ins_code 6 Cif _struct_ref_seq.seq_align_end 6 Cif _struct_ref_seq.pdbx_seq_align_end_ins_code 6 Cif _struct_ref_seq.pdbx_db_accession 6 Cif _struct_ref_seq.db_align_beg 6 Cif _struct_ref_seq.pdbx_db_align_beg_ins_code 6 Cif _struct_ref_seq.db_align_end 6 Cif _struct_ref_seq.pdbx_db_align_end_ins_code 6 Cif _struct_ref_seq.pdbx_auth_seq_align_beg 6 Cif _struct_ref_seq.pdbx_auth_seq_align_end 7 Cif _struct_ref_seq_dif LoopLength = 46 7 Cif _struct_ref_seq_dif ListOfLines 7 Cif _struct_ref_seq_dif.align_id 7 Cif _struct_ref_seq_dif.pdbx_pdb_id_code 7 Cif _struct_ref_seq_dif.mon_id 7 Cif _struct_ref_seq_dif.pdbx_pdb_strand_id 7 Cif _struct_ref_seq_dif.seq_num 7 Cif _struct_ref_seq_dif.pdbx_pdb_ins_code 7 Cif _struct_ref_seq_dif.pdbx_seq_db_name 7 Cif _struct_ref_seq_dif.pdbx_seq_db_accession_code 7 Cif _struct_ref_seq_dif.db_mon_id 7 Cif _struct_ref_seq_dif.pdbx_seq_db_seq_num 7 Cif _struct_ref_seq_dif.details 7 Cif _struct_ref_seq_dif.pdbx_auth_seq_num 7 Cif _struct_ref_seq_dif.pdbx_ordinal 8 Cif _chem_comp LoopLength = 21 8 Cif _chem_comp ListOfLines 8 Cif _chem_comp.id 8 Cif _chem_comp.type 8 Cif _chem_comp.mon_nstd_flag 8 Cif _chem_comp.name 8 Cif _chem_comp.pdbx_synonyms 8 Cif _chem_comp.formula 8 Cif _chem_comp.formula_weight 9 Cif _reflns_shell LoopLength = 22 9 Cif _reflns_shell ListOfLines 9 Cif _reflns_shell.d_res_high 9 Cif _reflns_shell.d_res_low 9 Cif _reflns_shell.meanI_over_sigI_all 9 Cif _reflns_shell.meanI_over_sigI_obs 9 Cif _reflns_shell.number_measured_all 9 Cif _reflns_shell.number_measured_obs 9 Cif _reflns_shell.number_possible 9 Cif _reflns_shell.number_unique_all 9 Cif _reflns_shell.number_unique_obs 9 Cif _reflns_shell.percent_possible_all 9 Cif _reflns_shell.percent_possible_obs 9 Cif _reflns_shell.Rmerge_F_all 9 Cif _reflns_shell.Rmerge_F_obs 9 Cif _reflns_shell.Rmerge_I_all 9 Cif _reflns_shell.Rmerge_I_obs 9 Cif _reflns_shell.meanI_over_sigI_gt 9 Cif _reflns_shell.meanI_over_uI_all 9 Cif _reflns_shell.meanI_over_uI_gt 9 Cif _reflns_shell.number_measured_gt 9 Cif _reflns_shell.number_unique_gt 9 Cif _reflns_shell.percent_possible_gt 9 Cif _reflns_shell.Rmerge_F_gt 9 Cif _reflns_shell.Rmerge_I_gt 9 Cif _reflns_shell.pdbx_redundancy 9 Cif _reflns_shell.pdbx_Rsym_value 9 Cif _reflns_shell.pdbx_chi_squared 9 Cif _reflns_shell.pdbx_netI_over_sigmaI_all 9 Cif _reflns_shell.pdbx_netI_over_sigmaI_obs 9 Cif _reflns_shell.pdbx_Rrim_I_all 9 Cif _reflns_shell.pdbx_Rpim_I_all 9 Cif _reflns_shell.pdbx_rejects 9 Cif _reflns_shell.pdbx_ordinal 9 Cif _reflns_shell.pdbx_diffrn_id 9 Cif _reflns_shell.pdbx_CC_half 9 Cif _reflns_shell.pdbx_R_split 10 Cif _refine_ls_restr LoopLength = 5 10 Cif _refine_ls_restr ListOfLines 10 Cif _refine_ls_restr.pdbx_refine_id 10 Cif _refine_ls_restr.criterion 10 Cif _refine_ls_restr.dev_ideal 10 Cif _refine_ls_restr.dev_ideal_target 10 Cif _refine_ls_restr.number 10 Cif _refine_ls_restr.rejects 10 Cif _refine_ls_restr.type 10 Cif _refine_ls_restr.weight 10 Cif _refine_ls_restr.pdbx_restraint_function 11 Cif _refine_ls_shell LoopLength = 14 11 Cif _refine_ls_shell ListOfLines 11 Cif _refine_ls_shell.pdbx_refine_id 11 Cif _refine_ls_shell.d_res_high 11 Cif _refine_ls_shell.d_res_low 11 Cif _refine_ls_shell.number_reflns_all 11 Cif _refine_ls_shell.number_reflns_obs 11 Cif _refine_ls_shell.number_reflns_R_free 11 Cif _refine_ls_shell.number_reflns_R_work 11 Cif _refine_ls_shell.percent_reflns_obs 11 Cif _refine_ls_shell.percent_reflns_R_free 11 Cif _refine_ls_shell.R_factor_all 11 Cif _refine_ls_shell.R_factor_obs 11 Cif _refine_ls_shell.R_factor_R_free 11 Cif _refine_ls_shell.R_factor_R_free_error 11 Cif _refine_ls_shell.R_factor_R_work 11 Cif _refine_ls_shell.redundancy_reflns_all 11 Cif _refine_ls_shell.redundancy_reflns_obs 11 Cif _refine_ls_shell.wR_factor_all 11 Cif _refine_ls_shell.wR_factor_obs 11 Cif _refine_ls_shell.wR_factor_R_free 11 Cif _refine_ls_shell.wR_factor_R_work 11 Cif _refine_ls_shell.pdbx_total_number_of_bins_used 11 Cif _refine_ls_shell.pdbx_phase_error 11 Cif _refine_ls_shell.pdbx_fsc_work 11 Cif _refine_ls_shell.pdbx_fsc_free 12 Cif _struct_asym LoopLength = 11 12 Cif _struct_asym ListOfLines 12 Cif _struct_asym.id 12 Cif _struct_asym.pdbx_blank_PDB_chainid_flag 12 Cif _struct_asym.pdbx_modified 12 Cif _struct_asym.entity_id 12 Cif _struct_asym.details 13 Cif _struct_conf LoopLength = 40 13 Cif _struct_conf ListOfLines 13 Cif _struct_conf.conf_type_id 13 Cif _struct_conf.id 13 Cif _struct_conf.pdbx_PDB_helix_id 13 Cif _struct_conf.beg_label_comp_id 13 Cif _struct_conf.beg_label_asym_id 13 Cif _struct_conf.beg_label_seq_id 13 Cif _struct_conf.pdbx_beg_PDB_ins_code 13 Cif _struct_conf.end_label_comp_id 13 Cif _struct_conf.end_label_asym_id 13 Cif _struct_conf.end_label_seq_id 13 Cif _struct_conf.pdbx_end_PDB_ins_code 13 Cif _struct_conf.beg_auth_comp_id 13 Cif _struct_conf.beg_auth_asym_id 13 Cif _struct_conf.beg_auth_seq_id 13 Cif _struct_conf.end_auth_comp_id 13 Cif _struct_conf.end_auth_asym_id 13 Cif _struct_conf.end_auth_seq_id 13 Cif _struct_conf.pdbx_PDB_helix_class 13 Cif _struct_conf.details 13 Cif _struct_conf.pdbx_PDB_helix_length 14 Cif _struct_mon_prot_cis LoopLength = 3 14 Cif _struct_mon_prot_cis ListOfLines 14 Cif _struct_mon_prot_cis.pdbx_id 14 Cif _struct_mon_prot_cis.label_comp_id 14 Cif _struct_mon_prot_cis.label_seq_id 14 Cif _struct_mon_prot_cis.label_asym_id 14 Cif _struct_mon_prot_cis.label_alt_id 14 Cif _struct_mon_prot_cis.pdbx_PDB_ins_code 14 Cif _struct_mon_prot_cis.auth_comp_id 14 Cif _struct_mon_prot_cis.auth_seq_id 14 Cif _struct_mon_prot_cis.auth_asym_id 14 Cif _struct_mon_prot_cis.pdbx_label_comp_id_2 14 Cif _struct_mon_prot_cis.pdbx_label_seq_id_2 14 Cif _struct_mon_prot_cis.pdbx_label_asym_id_2 14 Cif _struct_mon_prot_cis.pdbx_PDB_ins_code_2 14 Cif _struct_mon_prot_cis.pdbx_auth_comp_id_2 14 Cif _struct_mon_prot_cis.pdbx_auth_seq_id_2 14 Cif _struct_mon_prot_cis.pdbx_auth_asym_id_2 14 Cif _struct_mon_prot_cis.pdbx_PDB_model_num 14 Cif _struct_mon_prot_cis.pdbx_omega_angle 15 Cif _struct_sheet LoopLength = 11 15 Cif _struct_sheet ListOfLines 15 Cif _struct_sheet.id 15 Cif _struct_sheet.type 15 Cif _struct_sheet.number_strands 15 Cif _struct_sheet.details 16 Cif _struct_sheet_order LoopLength = 39 16 Cif _struct_sheet_order ListOfLines 16 Cif _struct_sheet_order.sheet_id 16 Cif _struct_sheet_order.range_id_1 16 Cif _struct_sheet_order.range_id_2 16 Cif _struct_sheet_order.offset 16 Cif _struct_sheet_order.sense 17 Cif _struct_sheet_range LoopLength = 50 17 Cif _struct_sheet_range ListOfLines 17 Cif _struct_sheet_range.sheet_id 17 Cif _struct_sheet_range.id 17 Cif _struct_sheet_range.beg_label_comp_id 17 Cif _struct_sheet_range.beg_label_asym_id 17 Cif _struct_sheet_range.beg_label_seq_id 17 Cif _struct_sheet_range.pdbx_beg_PDB_ins_code 17 Cif _struct_sheet_range.end_label_comp_id 17 Cif _struct_sheet_range.end_label_asym_id 17 Cif _struct_sheet_range.end_label_seq_id 17 Cif _struct_sheet_range.pdbx_end_PDB_ins_code 17 Cif _struct_sheet_range.beg_auth_comp_id 17 Cif _struct_sheet_range.beg_auth_asym_id 17 Cif _struct_sheet_range.beg_auth_seq_id 17 Cif _struct_sheet_range.end_auth_comp_id 17 Cif _struct_sheet_range.end_auth_asym_id 17 Cif _struct_sheet_range.end_auth_seq_id 18 Cif _pdbx_struct_sheet_hbond LoopLength = 39 18 Cif _pdbx_struct_sheet_hbond ListOfLines 18 Cif _pdbx_struct_sheet_hbond.sheet_id 18 Cif _pdbx_struct_sheet_hbond.range_id_1 18 Cif _pdbx_struct_sheet_hbond.range_id_2 18 Cif _pdbx_struct_sheet_hbond.range_1_label_atom_id 18 Cif _pdbx_struct_sheet_hbond.range_1_label_comp_id 18 Cif _pdbx_struct_sheet_hbond.range_1_label_asym_id 18 Cif _pdbx_struct_sheet_hbond.range_1_label_seq_id 18 Cif _pdbx_struct_sheet_hbond.range_1_PDB_ins_code 18 Cif _pdbx_struct_sheet_hbond.range_1_auth_atom_id 18 Cif _pdbx_struct_sheet_hbond.range_1_auth_comp_id 18 Cif _pdbx_struct_sheet_hbond.range_1_auth_asym_id 18 Cif _pdbx_struct_sheet_hbond.range_1_auth_seq_id 18 Cif _pdbx_struct_sheet_hbond.range_2_label_atom_id 18 Cif _pdbx_struct_sheet_hbond.range_2_label_comp_id 18 Cif _pdbx_struct_sheet_hbond.range_2_label_asym_id 18 Cif _pdbx_struct_sheet_hbond.range_2_label_seq_id 18 Cif _pdbx_struct_sheet_hbond.range_2_PDB_ins_code 18 Cif _pdbx_struct_sheet_hbond.range_2_auth_atom_id 18 Cif _pdbx_struct_sheet_hbond.range_2_auth_comp_id 18 Cif _pdbx_struct_sheet_hbond.range_2_auth_asym_id 18 Cif _pdbx_struct_sheet_hbond.range_2_auth_seq_id 19 Cif _struct_site LoopLength = 7 19 Cif _struct_site ListOfLines 19 Cif _struct_site.id 19 Cif _struct_site.pdbx_evidence_code 19 Cif _struct_site.pdbx_auth_asym_id 19 Cif _struct_site.pdbx_auth_comp_id 19 Cif _struct_site.pdbx_auth_seq_id 19 Cif _struct_site.pdbx_auth_ins_code 19 Cif _struct_site.pdbx_num_residues 19 Cif _struct_site.details 20 Cif _struct_site_gen LoopLength = 41 20 Cif _struct_site_gen ListOfLines 20 Cif _struct_site_gen.id 20 Cif _struct_site_gen.site_id 20 Cif _struct_site_gen.pdbx_num_res 20 Cif _struct_site_gen.label_comp_id 20 Cif _struct_site_gen.label_asym_id 20 Cif _struct_site_gen.label_seq_id 20 Cif _struct_site_gen.pdbx_auth_ins_code 20 Cif _struct_site_gen.auth_comp_id 20 Cif _struct_site_gen.auth_asym_id 20 Cif _struct_site_gen.auth_seq_id 20 Cif _struct_site_gen.label_atom_id 20 Cif _struct_site_gen.label_alt_id 20 Cif _struct_site_gen.symmetry 20 Cif _struct_site_gen.details 21 Cif _atom_type LoopLength = 4 21 Cif _atom_type ListOfLines 21 Cif _atom_type.symbol 22 Cif _atom_site LoopLength = 8317 22 Cif _atom_site ListOfLines 22 Cif _atom_site.group_PDB 22 Cif _atom_site.id 22 Cif _atom_site.type_symbol 22 Cif _atom_site.label_atom_id 22 Cif _atom_site.label_alt_id 22 Cif _atom_site.label_comp_id 22 Cif _atom_site.label_asym_id 22 Cif _atom_site.label_entity_id 22 Cif _atom_site.label_seq_id 22 Cif _atom_site.pdbx_PDB_ins_code 22 Cif _atom_site.Cartn_x 22 Cif _atom_site.Cartn_y 22 Cif _atom_site.Cartn_z 22 Cif _atom_site.occupancy 22 Cif _atom_site.B_iso_or_equiv 22 Cif _atom_site.pdbx_formal_charge 22 Cif _atom_site.auth_seq_id 22 Cif _atom_site.auth_comp_id 22 Cif _atom_site.auth_asym_id 22 Cif _atom_site.auth_atom_id 22 Cif _atom_site.pdbx_PDB_model_num 23 Cif _atom_site_anisotrop LoopLength = 1 23 Cif _atom_site_anisotrop ListOfLines 23 Cif _atom_site_anisotrop.id 23 Cif _atom_site_anisotrop.type_symbol 23 Cif _atom_site_anisotrop.pdbx_label_atom_id 23 Cif _atom_site_anisotrop.pdbx_label_alt_id 23 Cif _atom_site_anisotrop.pdbx_label_comp_id 23 Cif _atom_site_anisotrop.pdbx_label_asym_id 23 Cif _atom_site_anisotrop.pdbx_label_seq_id 23 Cif _atom_site_anisotrop.pdbx_PDB_ins_code 24 Cif _pdbx_poly_seq_scheme LoopLength = 1232 24 Cif _pdbx_poly_seq_scheme ListOfLines 24 Cif _pdbx_poly_seq_scheme.asym_id 24 Cif _pdbx_poly_seq_scheme.entity_id 24 Cif _pdbx_poly_seq_scheme.seq_id 24 Cif _pdbx_poly_seq_scheme.mon_id 24 Cif _pdbx_poly_seq_scheme.ndb_seq_num 24 Cif _pdbx_poly_seq_scheme.pdb_seq_num 24 Cif _pdbx_poly_seq_scheme.auth_seq_num 24 Cif _pdbx_poly_seq_scheme.pdb_mon_id 24 Cif _pdbx_poly_seq_scheme.auth_mon_id 24 Cif _pdbx_poly_seq_scheme.pdb_strand_id 24 Cif _pdbx_poly_seq_scheme.pdb_ins_code 24 Cif _pdbx_poly_seq_scheme.hetero 25 Cif _pdbx_nonpoly_scheme LoopLength = 49 25 Cif _pdbx_nonpoly_scheme ListOfLines 25 Cif _pdbx_nonpoly_scheme.asym_id 25 Cif _pdbx_nonpoly_scheme.entity_id 25 Cif _pdbx_nonpoly_scheme.mon_id 25 Cif _pdbx_nonpoly_scheme.ndb_seq_num 25 Cif _pdbx_nonpoly_scheme.pdb_seq_num 25 Cif _pdbx_nonpoly_scheme.auth_seq_num 25 Cif _pdbx_nonpoly_scheme.pdb_mon_id 25 Cif _pdbx_nonpoly_scheme.auth_mon_id 25 Cif _pdbx_nonpoly_scheme.pdb_strand_id 25 Cif _pdbx_nonpoly_scheme.pdb_ins_code 26 Cif _pdbx_struct_assembly LoopLength = 3 26 Cif _pdbx_struct_assembly ListOfLines 26 Cif _pdbx_struct_assembly.id 26 Cif _pdbx_struct_assembly.details 26 Cif _pdbx_struct_assembly.method_details 26 Cif _pdbx_struct_assembly.oligomeric_details 26 Cif _pdbx_struct_assembly.oligomeric_count 27 Cif _pdbx_struct_assembly_gen LoopLength = 3 27 Cif _pdbx_struct_assembly_gen ListOfLines 27 Cif _pdbx_struct_assembly_gen.assembly_id 27 Cif _pdbx_struct_assembly_gen.oper_expression 27 Cif _pdbx_struct_assembly_gen.asym_id_list 28 Cif _pdbx_struct_assembly_prop LoopLength = 3 28 Cif _pdbx_struct_assembly_prop ListOfLines 28 Cif _pdbx_struct_assembly_prop.biol_id 28 Cif _pdbx_struct_assembly_prop.type 28 Cif _pdbx_struct_assembly_prop.value 28 Cif _pdbx_struct_assembly_prop.details 29 Cif _pdbx_refine_tls LoopLength = 39 29 Cif _pdbx_refine_tls ListOfLines 29 Cif _pdbx_refine_tls.pdbx_refine_id 29 Cif _pdbx_refine_tls.id 29 Cif _pdbx_refine_tls.details 29 Cif _pdbx_refine_tls.method 29 Cif _pdbx_refine_tls.origin_x 29 Cif _pdbx_refine_tls.origin_y 29 Cif _pdbx_refine_tls.origin_z 30 Cif _pdbx_refine_tls_group LoopLength = 9 30 Cif _pdbx_refine_tls_group ListOfLines 30 Cif _pdbx_refine_tls_group.pdbx_refine_id 30 Cif _pdbx_refine_tls_group.id 30 Cif _pdbx_refine_tls_group.refine_tls_id 30 Cif _pdbx_refine_tls_group.beg_auth_asym_id 30 Cif _pdbx_refine_tls_group.beg_auth_seq_id 30 Cif _pdbx_refine_tls_group.end_auth_asym_id 30 Cif _pdbx_refine_tls_group.end_auth_seq_id 30 Cif _pdbx_refine_tls_group.selection_details 30 Cif _pdbx_refine_tls_group.beg_label_asym_id 30 Cif _pdbx_refine_tls_group.beg_label_seq_id 30 Cif _pdbx_refine_tls_group.end_label_asym_id 30 Cif _pdbx_refine_tls_group.end_label_seq_id 30 Cif _pdbx_refine_tls_group.selection 31 Cif _software LoopLength = 5 31 Cif _software ListOfLines 31 Cif _software.citation_id 31 Cif _software.classification 31 Cif _software.compiler_name 31 Cif _software.compiler_version 31 Cif _software.contact_author 31 Cif _software.contact_author_email 31 Cif _software.date 31 Cif _software.description 31 Cif _software.dependencies 31 Cif _software.hardware 31 Cif _software.language 31 Cif _software.location 31 Cif _software.mods 31 Cif _software.name 31 Cif _software.os 31 Cif _software.os_version 31 Cif _software.type 31 Cif _software.version 31 Cif _software.pdbx_ordinal 32 Cif _pdbx_validate_torsion LoopLength = 29 32 Cif _pdbx_validate_torsion ListOfLines 32 Cif _pdbx_validate_torsion.id 32 Cif _pdbx_validate_torsion.PDB_model_num 32 Cif _pdbx_validate_torsion.auth_comp_id 32 Cif _pdbx_validate_torsion.auth_asym_id 32 Cif _pdbx_validate_torsion.auth_seq_id 32 Cif _pdbx_validate_torsion.PDB_ins_code 32 Cif _pdbx_validate_torsion.label_alt_id 32 Cif _pdbx_validate_torsion.phi 32 Cif _pdbx_validate_torsion.psi 33 Cif _pdbx_unobs_or_zero_occ_atoms LoopLength = 651 33 Cif _pdbx_unobs_or_zero_occ_atoms ListOfLines 33 Cif _pdbx_unobs_or_zero_occ_atoms.id 33 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 33 Cif _pdbx_unobs_or_zero_occ_atoms.polymer_flag 33 Cif _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_asym_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_comp_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_atom_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.label_alt_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.label_asym_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.label_comp_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.label_seq_id 33 Cif _pdbx_unobs_or_zero_occ_atoms.label_atom_id 34 Cif _pdbx_unobs_or_zero_occ_residues LoopLength = 83 34 Cif _pdbx_unobs_or_zero_occ_residues ListOfLines 34 Cif _pdbx_unobs_or_zero_occ_residues.id 34 Cif _pdbx_unobs_or_zero_occ_residues.PDB_model_num 34 Cif _pdbx_unobs_or_zero_occ_residues.polymer_flag 34 Cif _pdbx_unobs_or_zero_occ_residues.occupancy_flag 34 Cif _pdbx_unobs_or_zero_occ_residues.auth_asym_id 34 Cif _pdbx_unobs_or_zero_occ_residues.auth_comp_id 34 Cif _pdbx_unobs_or_zero_occ_residues.auth_seq_id 34 Cif _pdbx_unobs_or_zero_occ_residues.PDB_ins_code 34 Cif _pdbx_unobs_or_zero_occ_residues.label_asym_id 34 Cif _pdbx_unobs_or_zero_occ_residues.label_comp_id 34 Cif _pdbx_unobs_or_zero_occ_residues.label_seq_id 35 Cif _pdbx_entity_nonpoly LoopLength = 4 35 Cif _pdbx_entity_nonpoly ListOfLines 35 Cif _pdbx_entity_nonpoly.entity_id 35 Cif _pdbx_entity_nonpoly.name 35 Cif _pdbx_entity_nonpoly.comp_id
store/synthetases/5W25.cif Crystal structure of Aspartyl-tRNA synthetase from Mycobacterium tuberculosis complexed with L-Aspartic Acid About organisms entity 1 gene_src_taxid 83332 gene_src_Name Mycobacterium tuberculosis pdbx_org_TaxId 469008 pdbx_org_Name Escherichia Coli entity 2 gene_src_taxid 83332 gene_src_Name Mycobacterium tuberculosis pdbx_org_TaxId 469008 pdbx_org_Name Escherichia Coli LabAsym AutAsym Entity A A 1 polymer man Aspartate--tRNA(Asp/Asn) B B 1 polymer man Aspartate--tRNA(Asp/Asn) C A 2 non-polymer man ASPARTIC D A 3 non-polymer syn LYSINE E A 3 non-polymer syn LYSINE F A 4 non-polymer syn GLUTAMIC G B 2 non-polymer man ASPARTIC H B 3 non-polymer syn LYSINE I B 4 non-polymer syn GLUTAMIC J A 5 water nat water K B 5 water nat water ValuesOf SimpleKeys _entry.id 5W25 _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.280 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic _pdbx_database_related.db_name TargetTrack _pdbx_database_related.details . _pdbx_database_related.db_id SSGCID-MytuD.00145.a _pdbx_database_related.content_type unspecified _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5W25 _pdbx_database_status.recvd_initial_deposition_date 2017-06-05 _pdbx_database_status.SG_entry Y _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y _audit_author.name Seattle Structural Genomics Center for Infectious Disease (SSGCID) _audit_author.pdbx_ordinal 1 _audit_author.identifier_ORCID ? _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 Crystal structure of Aspartyl-tRNA synthetase from Mycobacterium tuberculosis complexed with L-Aspartic Acid _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 93.770 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 5W25 _cell.details ? _cell.formula_units_Z ? _cell.length_a 64.720 _cell.length_a_esd ? _cell.length_b 158.240 _cell.length_b_esd ? _cell.length_c 75.740 _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 5W25 _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M P 1 21 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 MGSSHHHHHHSSGLVPRGSHVFVLRSHAAGLLREGDAGQQVTLAGWVARRRDHGGVIFIDLRDASGIAQVVFRDPQDTEV LAQAHRLRAEFCVSVAGVVEIRPEGNANPEIATGEIEVNATSLTVLGECAPLPFQLDEPAGEELRLKYRYLDLRRDDPAA AIRLRSRVNAAARAVLARHDFVEIETPTITRSTPEGARDFLVPARLHPGSFYALPQSPQLFKQLLMVAGMERYYQIARCY RDEDFRADRQPEFTQLDMEMSFVDAEDIIAISEEVLTELWALIGYRIPTPIPRIGYAEAMRRFGTDKPDLRFGLELVECT DFFSDTTFRVFQAPYVGAVVMPGGASQPRRTLDGWQDWAKQRGHRGLAYVLVAEDGTLGGPVAKNLTEAERTGLADHVGA KPGDCIFFSAGPVKSSRALLGAARVEIANRLGLIDPDAWAFVWVVDPPLFEPADEATAAGEVAVGSGAWTAVHHAFTAPK PEWEDRIESDTGSVLADAYDIVCNGHEIGGGSVRIHRRDIQERVFAVMGLDKAEAEEKFGFLLEAFMFGAPPHGGIAFGW DRTTALLAGMDSIREVIAFPKTGGGVDPLTDAPAPITAQQRKESGIDAQPKRVQQA _entity_poly.pdbx_seq_one_letter_code_can MGSSHHHHHHSSGLVPRGSHVFVLRSHAAGLLREGDAGQQVTLAGWVARRRDHGGVIFIDLRDASGIAQVVFRDPQDTEV LAQAHRLRAEFCVSVAGVVEIRPEGNANPEIATGEIEVNATSLTVLGECAPLPFQLDEPAGEELRLKYRYLDLRRDDPAA AIRLRSRVNAAARAVLARHDFVEIETPTITRSTPEGARDFLVPARLHPGSFYALPQSPQLFKQLLMVAGMERYYQIARCY RDEDFRADRQPEFTQLDMEMSFVDAEDIIAISEEVLTELWALIGYRIPTPIPRIGYAEAMRRFGTDKPDLRFGLELVECT DFFSDTTFRVFQAPYVGAVVMPGGASQPRRTLDGWQDWAKQRGHRGLAYVLVAEDGTLGGPVAKNLTEAERTGLADHVGA KPGDCIFFSAGPVKSSRALLGAARVEIANRLGLIDPDAWAFVWVVDPPLFEPADEATAAGEVAVGSGAWTAVHHAFTAPK PEWEDRIESDTGSVLADAYDIVCNGHEIGGGSVRIHRRDIQERVFAVMGLDKAEAEEKFGFLLEAFMFGAPPHGGIAFGW DRTTALLAGMDSIREVIAFPKTGGGVDPLTDAPAPITAQQRKESGIDAQPKRVQQA _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier SSGCID-MytuD.00145.a _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code SYDND_MYCTU _struct_ref.pdbx_db_accession P9WFW3 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code LRSHAAGLLREGDAGQQVTLAGWVARRRDHGGVIFIDLRDASGIAQVVFRDPQDTEVLAQAHRLRAEFCVSVAGVVEIRP EGNANPEIATGEIEVNATSLTVLGECAPLPFQLDEPAGEELRLKYRYLDLRRDDPAAAIRLRSRVNAAARAVLARHDFVE IETPTITRSTPEGARDFLVPARLHPGSFYALPQSPQLFKQLLMVAGMERYYQIARCYRDEDFRADRQPEFTQLDMEMSFV DAEDIIAISEEVLTELWALIGYRIPTPIPRIGYAEAMRRFGTDKPDLRFGLELVECTDFFSDTTFRVFQAPYVGAVVMPG GASQPRRTLDGWQDWAKQRGHRGLAYVLVAEDGTLGGPVAKNLTEAERTGLADHVGAKPGDCIFFSAGPVKSSRALLGAA RVEIANRLGLIDPDAWAFVWVVDPPLFEPADEATAAGEVAVGSGAWTAVHHAFTAPKPEWEDRIESDTGSVLADAYDIVC NGHEIGGGSVRIHRRDIQERVFAVMGLDKAEAEEKFGFLLEAFMFGAPPHGGIAFGWDRTTALLAGMDSIREVIAFPKTG GGVDPLTDAPAPITAQQRKESGIDAQPKRVQQA _struct_ref.pdbx_align_begin 2 _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 5W25 _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 2.88 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 57.26 _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, SITTING DROP _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 290 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details MytuD.00145.b.M1.PD00305 at 10.3 mg/ml was incubated with 1 mM L-aspartic acid, then mixed 1:1 with Morpheus (h1): 10% (w/v) PEG-20000, 20% (v/v) PEG MME 550, 0.1 M MES/imidazole, pH = 6.5, 0.02 M each L-glutamate, DL-alanine, glycine, DL-lysine, DL-serine, Tray 251523h1, puck gdy9-5 _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_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type ADSC QUANTUM 315r _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2017-05-03 _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator Double-crystal, Si(111) _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 1.0000 _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 ALS BEAMLINE 8.2.2 _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 8.2.2 _diffrn_source.pdbx_synchrotron_site ALS _reflns.B_iso_Wilson_estimate 62.640 _reflns.entry_id 5W25 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.650 _reflns.d_resolution_low 43.254 _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 44023 _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 -3.000 _reflns.percent_possible_obs 99.800 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.143 _reflns.pdbx_Rmerge_I_obs 0.049 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 16.480 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared 1.064 _reflns.pdbx_scaling_rejects 56 _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 0.056 _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 182369 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.999 _reflns.pdbx_R_split ? _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 43910 _refine.ls_number_reflns_R_free 1973 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.5600 _refine.ls_percent_reflns_R_free 4.4900 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2257 _refine.ls_R_factor_R_free 0.2450 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2247 _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 ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _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 FREE R-VALUE _refine.pdbx_method_to_determine_struct MOLECULAR REPLACEMENT _refine.pdbx_starting_model 4RMF _refine.pdbx_stereochemistry_target_values ? _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 35.5700 _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 0.3800 _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.cycle_id final _refine_hist.pdbx_refine_id X-RAY DIFFRACTION _refine_hist.d_res_high 2.6500 _refine_hist.d_res_low 43.2540 _refine_hist.pdbx_number_atoms_ligand 50 _refine_hist.number_atoms_solvent 42 _refine_hist.number_atoms_total 8317 _refine_hist.pdbx_number_residues_total 1151 _refine_hist.pdbx_B_iso_mean_ligand 140.45 _refine_hist.pdbx_B_iso_mean_solvent 73.43 _refine_hist.pdbx_number_atoms_protein 8225 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _struct.entry_id 5W25 _struct.title Crystal structure of Aspartyl-tRNA synthetase from Mycobacterium tuberculosis complexed with L-Aspartic Acid _struct.pdbx_descriptor Aspartate--tRNA(Asp/Asn) ligase (E.C.6.1.1.23) _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 5W25 _struct_keywords.text SSGCID, Aspartate--tRNA(Asp/Asn) ligase, ATP, L-aspartate, AspRS, tRNA aminoacylation, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, LIGASE _struct_keywords.pdbx_keywords LIGASE _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? _atom_sites.entry_id 5W25 _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id _pdbx_SG_project.id 1 _pdbx_SG_project.project_name NIAID, National Institute of Allergy and Infectious Diseases _pdbx_SG_project.full_name_of_center Seattle Structural Genomics Center for Infectious Disease _pdbx_SG_project.initial_of_center SSGCID _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type identity operation _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _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 2017-06-14 _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_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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