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.db_id
Cif _pdbx_database_related.details
Cif _pdbx_database_related.content_type
Cif _pdbx_database_status.SG_entry
Cif _pdbx_database_status.entry_id
Cif _pdbx_database_status.deposit_site
Cif _pdbx_database_status.process_site
Cif _pdbx_database_status.recvd_initial_deposition_date
Cif _pdbx_database_status.status_code
Cif _pdbx_database_status.status_code_sf
Cif _pdbx_database_status.status_code_mr
Cif _pdbx_database_status.pdb_format_compatible
Cif _pdbx_database_status.status_code_cs
Cif _pdbx_database_status.methods_development_category
Cif _pdbx_database_status.status_code_nmr_data
Cif _audit_author.name
Cif _audit_author.pdbx_ordinal
Cif _citation.id
Cif _citation.title
Cif _citation.journal_abbrev
Cif _citation.journal_volume
Cif _citation.page_first
Cif _citation.page_last
Cif _citation.year
Cif _citation.journal_id_ASTM
Cif _citation.country
Cif _citation.journal_id_ISSN
Cif _citation.journal_id_CSD
Cif _citation.book_publisher
Cif _citation.pdbx_database_id_PubMed
Cif _citation.pdbx_database_id_DOI
Cif _citation_author.citation_id
Cif _citation_author.name
Cif _citation_author.ordinal
Cif _citation_author.identifier_ORCID
Cif _cell.entry_id
Cif _cell.length_a
Cif _cell.length_b
Cif _cell.length_c
Cif _cell.angle_alpha
Cif _cell.angle_beta
Cif _cell.angle_gamma
Cif _cell.pdbx_unique_axis
Cif _cell.Z_PDB
Cif _cell.length_a_esd
Cif _cell.length_b_esd
Cif _cell.length_c_esd
Cif _cell.angle_alpha_esd
Cif _cell.angle_beta_esd
Cif _cell.angle_gamma_esd
Cif _symmetry.entry_id
Cif _symmetry.Int_Tables_number
Cif _symmetry.space_group_name_H-M
Cif _symmetry.pdbx_full_space_group_name_H-M
Cif _symmetry.cell_setting
Cif _symmetry.space_group_name_Hall
Cif _entity_name_com.entity_id
Cif _entity_name_com.name
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.entity_id
Cif _struct_ref.pdbx_seq_one_letter_code
Cif _struct_ref.pdbx_align_begin
Cif _struct_ref.pdbx_db_isoform
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.crystals_number
Cif _exptl.method
Cif _exptl.entry_id
Cif _exptl_crystal.id
Cif _exptl_crystal.density_Matthews
Cif _exptl_crystal.density_meas
Cif _exptl_crystal.density_percent_sol
Cif _exptl_crystal.description
Cif _exptl_crystal.F_000
Cif _exptl_crystal.preparation
Cif _exptl_crystal_grow.crystal_id
Cif _exptl_crystal_grow.method
Cif _exptl_crystal_grow.pH
Cif _exptl_crystal_grow.temp
Cif _exptl_crystal_grow.pdbx_details
Cif _exptl_crystal_grow.temp_details
Cif _exptl_crystal_grow.pdbx_pH_range
Cif _diffrn.id
Cif _diffrn.ambient_temp
Cif _diffrn.ambient_temp_details
Cif _diffrn.crystal_id
Cif _diffrn_detector.diffrn_id
Cif _diffrn_detector.detector
Cif _diffrn_detector.type
Cif _diffrn_detector.details
Cif _diffrn_detector.pdbx_collection_date
Cif _diffrn_radiation.diffrn_id
Cif _diffrn_radiation.pdbx_monochromatic_or_laue_m_l
Cif _diffrn_radiation.monochromator
Cif _diffrn_radiation.pdbx_diffrn_protocol
Cif _diffrn_radiation.wavelength_id
Cif _diffrn_radiation.pdbx_scattering_type
Cif _diffrn_source.diffrn_id
Cif _diffrn_source.source
Cif _diffrn_source.pdbx_synchrotron_beamline
Cif _diffrn_source.type
Cif _diffrn_source.pdbx_wavelength_list
Cif _diffrn_source.pdbx_wavelength
Cif _diffrn_source.pdbx_synchrotron_site
Cif _reflns.entry_id
Cif _reflns.d_resolution_high
Cif _reflns.d_resolution_low
Cif _reflns.number_obs
Cif _reflns.pdbx_Rmerge_I_obs
Cif _reflns.pdbx_netI_over_sigmaI
Cif _reflns.percent_possible_obs
Cif _reflns.B_iso_Wilson_estimate
Cif _reflns.observed_criterion_sigma_F
Cif _reflns.observed_criterion_sigma_I
Cif _reflns.number_all
Cif _reflns.pdbx_Rsym_value
Cif _reflns.pdbx_redundancy
Cif _reflns.R_free_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.observed_criterion_F_max
Cif _reflns.observed_criterion_F_min
Cif _reflns.pdbx_chi_squared
Cif _reflns.pdbx_scaling_rejects
Cif _reflns.pdbx_ordinal
Cif _reflns.pdbx_diffrn_id
Cif _refine.entry_id
Cif _refine.ls_d_res_high
Cif _refine.ls_d_res_low
Cif _refine.pdbx_ls_sigma_F
Cif _refine.ls_percent_reflns_obs
Cif _refine.ls_number_reflns_obs
Cif _refine.pdbx_ls_cross_valid_method
Cif _refine.pdbx_R_Free_selection_details
Cif _refine.details
Cif _refine.ls_R_factor_all
Cif _refine.ls_R_factor_R_work
Cif _refine.ls_R_factor_R_free
Cif _refine.ls_percent_reflns_R_free
Cif _refine.ls_number_reflns_R_free
Cif _refine.B_iso_mean
Cif _refine.correlation_coeff_Fo_to_Fc
Cif _refine.correlation_coeff_Fo_to_Fc_free
Cif _refine.pdbx_overall_ESU_R
Cif _refine.pdbx_overall_ESU_R_Free
Cif _refine.overall_SU_ML
Cif _refine.overall_SU_B
Cif _refine.solvent_model_details
Cif _refine.pdbx_solvent_vdw_probe_radii
Cif _refine.pdbx_solvent_ion_probe_radii
Cif _refine.pdbx_solvent_shrinkage_radii
Cif _refine.pdbx_method_to_determine_struct
Cif _refine.pdbx_stereochemistry_target_values
Cif _refine.pdbx_starting_model
Cif _refine.pdbx_ls_sigma_I
Cif _refine.ls_number_reflns_all
Cif _refine.ls_R_factor_obs
Cif _refine.ls_redundancy_reflns_obs
Cif _refine.pdbx_data_cutoff_high_absF
Cif _refine.pdbx_data_cutoff_low_absF
Cif _refine.ls_number_parameters
Cif _refine.ls_number_restraints
Cif _refine.ls_R_factor_R_free_error
Cif _refine.ls_R_factor_R_free_error_details
Cif _refine.pdbx_stereochem_target_val_spec_case
Cif _refine.solvent_model_param_bsol
Cif _refine.solvent_model_param_ksol
Cif _refine.occupancy_max
Cif _refine.occupancy_min
Cif _refine.pdbx_isotropic_thermal_model
Cif _refine.B_iso_min
Cif _refine.B_iso_max
Cif _refine.overall_SU_R_Cruickshank_DPI
Cif _refine.overall_SU_R_free
Cif _refine.pdbx_data_cutoff_high_rms_absF
Cif _refine.ls_wR_factor_R_free
Cif _refine.ls_wR_factor_R_work
Cif _refine.overall_FOM_free_R_set
Cif _refine.overall_FOM_work_R_set
Cif _refine.pdbx_refine_id
Cif _refine.pdbx_TLS_residual_ADP_flag
Cif _refine.pdbx_diffrn_id
Cif _refine.pdbx_overall_phase_error
Cif _refine.pdbx_overall_SU_R_free_Cruickshank_DPI
Cif _refine.pdbx_overall_SU_R_Blow_DPI
Cif _refine.pdbx_overall_SU_R_free_Blow_DPI
Cif _refine_hist.pdbx_refine_id
Cif _refine_hist.cycle_id
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.number_atoms_solvent
Cif _refine_hist.number_atoms_total
Cif _refine_hist.d_res_high
Cif _refine_hist.d_res_low
Cif _refine_ls_shell.d_res_high
Cif _refine_ls_shell.d_res_low
Cif _refine_ls_shell.pdbx_total_number_of_bins_used
Cif _refine_ls_shell.percent_reflns_obs
Cif _refine_ls_shell.number_reflns_R_work
Cif _refine_ls_shell.R_factor_all
Cif _refine_ls_shell.R_factor_R_work
Cif _refine_ls_shell.R_factor_R_free
Cif _refine_ls_shell.percent_reflns_R_free
Cif _refine_ls_shell.number_reflns_R_free
Cif _refine_ls_shell.R_factor_R_free_error
Cif _refine_ls_shell.number_reflns_all
Cif _refine_ls_shell.number_reflns_obs
Cif _refine_ls_shell.redundancy_reflns_obs
Cif _refine_ls_shell.pdbx_refine_id
Cif _struct.entry_id
Cif _struct.title
Cif _struct.pdbx_model_details
Cif _struct.pdbx_CASP_flag
Cif _struct.pdbx_model_type_details
Cif _struct_keywords.text
Cif _struct_keywords.pdbx_keywords
Cif _struct_keywords.entry_id
Cif _struct_biol.id
Cif _struct_biol.details
Cif _struct_biol.pdbx_parent_biol_id
Cif _struct_conf_type.id
Cif _struct_conf_type.criteria
Cif _struct_conf_type.reference
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 _pdbx_SG_project.project_name
Cif _pdbx_SG_project.full_name_of_center
Cif _pdbx_SG_project.id
Cif _pdbx_SG_project.initial_of_center
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_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_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 _phasing.method
Cif _pdbx_database_remark.id
Cif _pdbx_database_remark.text
Cif _pdbx_validate_rmsd_angle.id
Cif _pdbx_validate_rmsd_angle.PDB_model_num
Cif _pdbx_validate_rmsd_angle.auth_atom_id_1
Cif _pdbx_validate_rmsd_angle.auth_asym_id_1
Cif _pdbx_validate_rmsd_angle.auth_comp_id_1
Cif _pdbx_validate_rmsd_angle.auth_seq_id_1
Cif _pdbx_validate_rmsd_angle.PDB_ins_code_1
Cif _pdbx_validate_rmsd_angle.label_alt_id_1
Cif _pdbx_validate_rmsd_angle.auth_atom_id_2
Cif _pdbx_validate_rmsd_angle.auth_asym_id_2
Cif _pdbx_validate_rmsd_angle.auth_comp_id_2
Cif _pdbx_validate_rmsd_angle.auth_seq_id_2
Cif _pdbx_validate_rmsd_angle.PDB_ins_code_2
Cif _pdbx_validate_rmsd_angle.label_alt_id_2
Cif _pdbx_validate_rmsd_angle.auth_atom_id_3
Cif _pdbx_validate_rmsd_angle.auth_asym_id_3
Cif _pdbx_validate_rmsd_angle.auth_comp_id_3
Cif _pdbx_validate_rmsd_angle.auth_seq_id_3
Cif _pdbx_validate_rmsd_angle.PDB_ins_code_3
Cif _pdbx_validate_rmsd_angle.label_alt_id_3
Cif _pdbx_validate_rmsd_angle.angle_value
Cif _pdbx_validate_rmsd_angle.angle_target_value
Cif _pdbx_validate_rmsd_angle.angle_deviation
Cif _pdbx_validate_rmsd_angle.angle_standard_deviation
Cif _pdbx_validate_rmsd_angle.linker_flag
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 = 3
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 _entity LoopLength = 4
1 Cif _entity ListOfLines
1 Cif _entity.id
1 Cif _entity.type
1 Cif _entity.src_method
1 Cif _entity.pdbx_description
1 Cif _entity.formula_weight
1 Cif _entity.pdbx_number_of_molecules
1 Cif _entity.pdbx_ec
1 Cif _entity.pdbx_mutation
1 Cif _entity.pdbx_fragment
1 Cif _entity.details
2 Cif _entity_poly_seq LoopLength = 481
2 Cif _entity_poly_seq ListOfLines
2 Cif _entity_poly_seq.entity_id
2 Cif _entity_poly_seq.num
2 Cif _entity_poly_seq.mon_id
2 Cif _entity_poly_seq.hetero
3 Cif _struct_ref_seq_dif LoopLength = 26
3 Cif _struct_ref_seq_dif ListOfLines
3 Cif _struct_ref_seq_dif.align_id
3 Cif _struct_ref_seq_dif.pdbx_pdb_id_code
3 Cif _struct_ref_seq_dif.mon_id
3 Cif _struct_ref_seq_dif.pdbx_pdb_strand_id
3 Cif _struct_ref_seq_dif.seq_num
3 Cif _struct_ref_seq_dif.pdbx_pdb_ins_code
3 Cif _struct_ref_seq_dif.pdbx_seq_db_name
3 Cif _struct_ref_seq_dif.pdbx_seq_db_accession_code
3 Cif _struct_ref_seq_dif.db_mon_id
3 Cif _struct_ref_seq_dif.pdbx_seq_db_seq_num
3 Cif _struct_ref_seq_dif.details
3 Cif _struct_ref_seq_dif.pdbx_auth_seq_num
3 Cif _struct_ref_seq_dif.pdbx_ordinal
4 Cif _chem_comp LoopLength = 24
4 Cif _chem_comp ListOfLines
4 Cif _chem_comp.id
4 Cif _chem_comp.type
4 Cif _chem_comp.mon_nstd_flag
4 Cif _chem_comp.name
4 Cif _chem_comp.pdbx_synonyms
4 Cif _chem_comp.formula
4 Cif _chem_comp.formula_weight
5 Cif _diffrn_radiation_wavelength LoopLength = 3
5 Cif _diffrn_radiation_wavelength ListOfLines
5 Cif _diffrn_radiation_wavelength.id
5 Cif _diffrn_radiation_wavelength.wavelength
5 Cif _diffrn_radiation_wavelength.wt
6 Cif _reflns_shell LoopLength = 10
6 Cif _reflns_shell ListOfLines
6 Cif _reflns_shell.d_res_high
6 Cif _reflns_shell.d_res_low
6 Cif _reflns_shell.number_measured_obs
6 Cif _reflns_shell.number_measured_all
6 Cif _reflns_shell.number_unique_obs
6 Cif _reflns_shell.Rmerge_I_obs
6 Cif _reflns_shell.meanI_over_sigI_obs
6 Cif _reflns_shell.pdbx_Rsym_value
6 Cif _reflns_shell.pdbx_chi_squared
6 Cif _reflns_shell.pdbx_redundancy
6 Cif _reflns_shell.percent_possible_obs
6 Cif _reflns_shell.number_unique_all
6 Cif _reflns_shell.percent_possible_all
6 Cif _reflns_shell.pdbx_ordinal
6 Cif _reflns_shell.pdbx_diffrn_id
7 Cif _refine_ls_restr LoopLength = 23
7 Cif _refine_ls_restr ListOfLines
7 Cif _refine_ls_restr.type
7 Cif _refine_ls_restr.number
7 Cif _refine_ls_restr.dev_ideal
7 Cif _refine_ls_restr.dev_ideal_target
7 Cif _refine_ls_restr.weight
7 Cif _refine_ls_restr.pdbx_refine_id
7 Cif _refine_ls_restr.pdbx_restraint_function
8 Cif _struct_asym LoopLength = 6
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 = 27
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_conn LoopLength = 27
10 Cif _struct_conn ListOfLines
10 Cif _struct_conn.id
10 Cif _struct_conn.conn_type_id
10 Cif _struct_conn.pdbx_leaving_atom_flag
10 Cif _struct_conn.pdbx_PDB_id
10 Cif _struct_conn.ptnr1_label_asym_id
10 Cif _struct_conn.ptnr1_label_comp_id
10 Cif _struct_conn.ptnr1_label_seq_id
10 Cif _struct_conn.ptnr1_label_atom_id
10 Cif _struct_conn.pdbx_ptnr1_label_alt_id
10 Cif _struct_conn.pdbx_ptnr1_PDB_ins_code
10 Cif _struct_conn.pdbx_ptnr1_standard_comp_id
10 Cif _struct_conn.ptnr1_symmetry
10 Cif _struct_conn.ptnr2_label_asym_id
10 Cif _struct_conn.ptnr2_label_comp_id
10 Cif _struct_conn.ptnr2_label_seq_id
10 Cif _struct_conn.ptnr2_label_atom_id
10 Cif _struct_conn.pdbx_ptnr2_label_alt_id
10 Cif _struct_conn.pdbx_ptnr2_PDB_ins_code
10 Cif _struct_conn.ptnr1_auth_asym_id
10 Cif _struct_conn.ptnr1_auth_comp_id
10 Cif _struct_conn.ptnr1_auth_seq_id
10 Cif _struct_conn.ptnr2_auth_asym_id
10 Cif _struct_conn.ptnr2_auth_comp_id
10 Cif _struct_conn.ptnr2_auth_seq_id
10 Cif _struct_conn.ptnr2_symmetry
10 Cif _struct_conn.pdbx_ptnr3_label_atom_id
10 Cif _struct_conn.pdbx_ptnr3_label_seq_id
10 Cif _struct_conn.pdbx_ptnr3_label_comp_id
10 Cif _struct_conn.pdbx_ptnr3_label_asym_id
10 Cif _struct_conn.pdbx_ptnr3_label_alt_id
10 Cif _struct_conn.pdbx_ptnr3_PDB_ins_code
10 Cif _struct_conn.details
10 Cif _struct_conn.pdbx_dist_value
10 Cif _struct_conn.pdbx_value_order
10 Cif _struct_conn.pdbx_role
11 Cif _struct_sheet LoopLength = 5
11 Cif _struct_sheet ListOfLines
11 Cif _struct_sheet.id
11 Cif _struct_sheet.type
11 Cif _struct_sheet.number_strands
11 Cif _struct_sheet.details
12 Cif _struct_sheet_order LoopLength = 6
12 Cif _struct_sheet_order ListOfLines
12 Cif _struct_sheet_order.sheet_id
12 Cif _struct_sheet_order.range_id_1
12 Cif _struct_sheet_order.range_id_2
12 Cif _struct_sheet_order.offset
12 Cif _struct_sheet_order.sense
13 Cif _struct_sheet_range LoopLength = 11
13 Cif _struct_sheet_range ListOfLines
13 Cif _struct_sheet_range.sheet_id
13 Cif _struct_sheet_range.id
13 Cif _struct_sheet_range.beg_label_comp_id
13 Cif _struct_sheet_range.beg_label_asym_id
13 Cif _struct_sheet_range.beg_label_seq_id
13 Cif _struct_sheet_range.pdbx_beg_PDB_ins_code
13 Cif _struct_sheet_range.end_label_comp_id
13 Cif _struct_sheet_range.end_label_asym_id
13 Cif _struct_sheet_range.end_label_seq_id
13 Cif _struct_sheet_range.pdbx_end_PDB_ins_code
13 Cif _struct_sheet_range.beg_auth_comp_id
13 Cif _struct_sheet_range.beg_auth_asym_id
13 Cif _struct_sheet_range.beg_auth_seq_id
13 Cif _struct_sheet_range.end_auth_comp_id
13 Cif _struct_sheet_range.end_auth_asym_id
13 Cif _struct_sheet_range.end_auth_seq_id
14 Cif _pdbx_struct_sheet_hbond LoopLength = 6
14 Cif _pdbx_struct_sheet_hbond ListOfLines
14 Cif _pdbx_struct_sheet_hbond.sheet_id
14 Cif _pdbx_struct_sheet_hbond.range_id_1
14 Cif _pdbx_struct_sheet_hbond.range_id_2
14 Cif _pdbx_struct_sheet_hbond.range_1_label_atom_id
14 Cif _pdbx_struct_sheet_hbond.range_1_label_comp_id
14 Cif _pdbx_struct_sheet_hbond.range_1_label_asym_id
14 Cif _pdbx_struct_sheet_hbond.range_1_label_seq_id
14 Cif _pdbx_struct_sheet_hbond.range_1_PDB_ins_code
14 Cif _pdbx_struct_sheet_hbond.range_1_auth_atom_id
14 Cif _pdbx_struct_sheet_hbond.range_1_auth_comp_id
14 Cif _pdbx_struct_sheet_hbond.range_1_auth_asym_id
14 Cif _pdbx_struct_sheet_hbond.range_1_auth_seq_id
14 Cif _pdbx_struct_sheet_hbond.range_2_label_atom_id
14 Cif _pdbx_struct_sheet_hbond.range_2_label_comp_id
14 Cif _pdbx_struct_sheet_hbond.range_2_label_asym_id
14 Cif _pdbx_struct_sheet_hbond.range_2_label_seq_id
14 Cif _pdbx_struct_sheet_hbond.range_2_PDB_ins_code
14 Cif _pdbx_struct_sheet_hbond.range_2_auth_atom_id
14 Cif _pdbx_struct_sheet_hbond.range_2_auth_comp_id
14 Cif _pdbx_struct_sheet_hbond.range_2_auth_asym_id
14 Cif _pdbx_struct_sheet_hbond.range_2_auth_seq_id
15 Cif _struct_site LoopLength = 3
15 Cif _struct_site ListOfLines
15 Cif _struct_site.id
15 Cif _struct_site.pdbx_evidence_code
15 Cif _struct_site.pdbx_auth_asym_id
15 Cif _struct_site.pdbx_auth_comp_id
15 Cif _struct_site.pdbx_auth_seq_id
15 Cif _struct_site.pdbx_auth_ins_code
15 Cif _struct_site.pdbx_num_residues
15 Cif _struct_site.details
16 Cif _struct_site_gen LoopLength = 8
16 Cif _struct_site_gen ListOfLines
16 Cif _struct_site_gen.id
16 Cif _struct_site_gen.site_id
16 Cif _struct_site_gen.pdbx_num_res
16 Cif _struct_site_gen.label_comp_id
16 Cif _struct_site_gen.label_asym_id
16 Cif _struct_site_gen.label_seq_id
16 Cif _struct_site_gen.pdbx_auth_ins_code
16 Cif _struct_site_gen.auth_comp_id
16 Cif _struct_site_gen.auth_asym_id
16 Cif _struct_site_gen.auth_seq_id
16 Cif _struct_site_gen.label_atom_id
16 Cif _struct_site_gen.label_alt_id
16 Cif _struct_site_gen.symmetry
16 Cif _struct_site_gen.details
17 Cif _atom_type LoopLength = 6
17 Cif _atom_type ListOfLines
17 Cif _atom_type.symbol
18 Cif _atom_site LoopLength = 3897
18 Cif _atom_site ListOfLines
18 Cif _atom_site.group_PDB
18 Cif _atom_site.id
18 Cif _atom_site.type_symbol
18 Cif _atom_site.label_atom_id
18 Cif _atom_site.label_alt_id
18 Cif _atom_site.label_comp_id
18 Cif _atom_site.label_asym_id
18 Cif _atom_site.label_entity_id
18 Cif _atom_site.label_seq_id
18 Cif _atom_site.pdbx_PDB_ins_code
18 Cif _atom_site.Cartn_x
18 Cif _atom_site.Cartn_y
18 Cif _atom_site.Cartn_z
18 Cif _atom_site.occupancy
18 Cif _atom_site.B_iso_or_equiv
18 Cif _atom_site.pdbx_formal_charge
18 Cif _atom_site.auth_seq_id
18 Cif _atom_site.auth_comp_id
18 Cif _atom_site.auth_asym_id
18 Cif _atom_site.auth_atom_id
18 Cif _atom_site.pdbx_PDB_model_num
19 Cif _pdbx_poly_seq_scheme LoopLength = 481
19 Cif _pdbx_poly_seq_scheme ListOfLines
19 Cif _pdbx_poly_seq_scheme.asym_id
19 Cif _pdbx_poly_seq_scheme.entity_id
19 Cif _pdbx_poly_seq_scheme.seq_id
19 Cif _pdbx_poly_seq_scheme.mon_id
19 Cif _pdbx_poly_seq_scheme.ndb_seq_num
19 Cif _pdbx_poly_seq_scheme.pdb_seq_num
19 Cif _pdbx_poly_seq_scheme.auth_seq_num
19 Cif _pdbx_poly_seq_scheme.pdb_mon_id
19 Cif _pdbx_poly_seq_scheme.auth_mon_id
19 Cif _pdbx_poly_seq_scheme.pdb_strand_id
19 Cif _pdbx_poly_seq_scheme.pdb_ins_code
19 Cif _pdbx_poly_seq_scheme.hetero
20 Cif _pdbx_nonpoly_scheme LoopLength = 64
20 Cif _pdbx_nonpoly_scheme ListOfLines
20 Cif _pdbx_nonpoly_scheme.asym_id
20 Cif _pdbx_nonpoly_scheme.entity_id
20 Cif _pdbx_nonpoly_scheme.mon_id
20 Cif _pdbx_nonpoly_scheme.ndb_seq_num
20 Cif _pdbx_nonpoly_scheme.pdb_seq_num
20 Cif _pdbx_nonpoly_scheme.auth_seq_num
20 Cif _pdbx_nonpoly_scheme.pdb_mon_id
20 Cif _pdbx_nonpoly_scheme.auth_mon_id
20 Cif _pdbx_nonpoly_scheme.pdb_strand_id
20 Cif _pdbx_nonpoly_scheme.pdb_ins_code
21 Cif _pdbx_struct_mod_residue LoopLength = 14
21 Cif _pdbx_struct_mod_residue ListOfLines
21 Cif _pdbx_struct_mod_residue.id
21 Cif _pdbx_struct_mod_residue.label_asym_id
21 Cif _pdbx_struct_mod_residue.label_comp_id
21 Cif _pdbx_struct_mod_residue.label_seq_id
21 Cif _pdbx_struct_mod_residue.auth_asym_id
21 Cif _pdbx_struct_mod_residue.auth_comp_id
21 Cif _pdbx_struct_mod_residue.auth_seq_id
21 Cif _pdbx_struct_mod_residue.PDB_ins_code
21 Cif _pdbx_struct_mod_residue.parent_comp_id
21 Cif _pdbx_struct_mod_residue.details
22 Cif _pdbx_audit_revision_history LoopLength = 6
22 Cif _pdbx_audit_revision_history ListOfLines
22 Cif _pdbx_audit_revision_history.ordinal
22 Cif _pdbx_audit_revision_history.data_content_type
22 Cif _pdbx_audit_revision_history.major_revision
22 Cif _pdbx_audit_revision_history.minor_revision
22 Cif _pdbx_audit_revision_history.revision_date
23 Cif _pdbx_audit_revision_group LoopLength = 7
23 Cif _pdbx_audit_revision_group ListOfLines
23 Cif _pdbx_audit_revision_group.ordinal
23 Cif _pdbx_audit_revision_group.revision_ordinal
23 Cif _pdbx_audit_revision_group.data_content_type
23 Cif _pdbx_audit_revision_group.group
24 Cif _pdbx_audit_revision_category LoopLength = 6
24 Cif _pdbx_audit_revision_category ListOfLines
24 Cif _pdbx_audit_revision_category.ordinal
24 Cif _pdbx_audit_revision_category.revision_ordinal
24 Cif _pdbx_audit_revision_category.data_content_type
24 Cif _pdbx_audit_revision_category.category
25 Cif _pdbx_audit_revision_item LoopLength = 9
25 Cif _pdbx_audit_revision_item ListOfLines
25 Cif _pdbx_audit_revision_item.ordinal
25 Cif _pdbx_audit_revision_item.revision_ordinal
25 Cif _pdbx_audit_revision_item.data_content_type
25 Cif _pdbx_audit_revision_item.item
26 Cif _pdbx_refine_tls LoopLength = 13
26 Cif _pdbx_refine_tls ListOfLines
26 Cif _pdbx_refine_tls.id
26 Cif _pdbx_refine_tls.details
26 Cif _pdbx_refine_tls.method
26 Cif _pdbx_refine_tls.origin_x
26 Cif _pdbx_refine_tls.origin_y
26 Cif _pdbx_refine_tls.origin_z
27 Cif _pdbx_refine_tls_group LoopLength = 2
27 Cif _pdbx_refine_tls_group ListOfLines
27 Cif _pdbx_refine_tls_group.id
27 Cif _pdbx_refine_tls_group.refine_tls_id
27 Cif _pdbx_refine_tls_group.beg_label_asym_id
27 Cif _pdbx_refine_tls_group.beg_label_seq_id
27 Cif _pdbx_refine_tls_group.end_label_asym_id
27 Cif _pdbx_refine_tls_group.end_label_seq_id
27 Cif _pdbx_refine_tls_group.selection
27 Cif _pdbx_refine_tls_group.beg_auth_asym_id
27 Cif _pdbx_refine_tls_group.beg_auth_seq_id
27 Cif _pdbx_refine_tls_group.end_auth_asym_id
27 Cif _pdbx_refine_tls_group.end_auth_seq_id
27 Cif _pdbx_refine_tls_group.pdbx_refine_id
27 Cif _pdbx_refine_tls_group.selection_details
28 Cif _software LoopLength = 10
28 Cif _software ListOfLines
28 Cif _software.name
28 Cif _software.version
28 Cif _software.date
28 Cif _software.type
28 Cif _software.contact_author
28 Cif _software.contact_author_email
28 Cif _software.classification
28 Cif _software.location
28 Cif _software.language
28 Cif _software.citation_id
28 Cif _software.pdbx_ordinal
29 Cif _pdbx_validate_torsion LoopLength = 3
29 Cif _pdbx_validate_torsion ListOfLines
29 Cif _pdbx_validate_torsion.id
29 Cif _pdbx_validate_torsion.PDB_model_num
29 Cif _pdbx_validate_torsion.auth_comp_id
29 Cif _pdbx_validate_torsion.auth_asym_id
29 Cif _pdbx_validate_torsion.auth_seq_id
29 Cif _pdbx_validate_torsion.PDB_ins_code
29 Cif _pdbx_validate_torsion.label_alt_id
29 Cif _pdbx_validate_torsion.phi
29 Cif _pdbx_validate_torsion.psi
30 Cif _pdbx_unobs_or_zero_occ_atoms LoopLength = 22
30 Cif _pdbx_unobs_or_zero_occ_atoms ListOfLines
30 Cif _pdbx_unobs_or_zero_occ_atoms.id
30 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
30 Cif _pdbx_unobs_or_zero_occ_atoms.polymer_flag
30 Cif _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
30 Cif _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
30 Cif _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.label_alt_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.label_asym_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.label_comp_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.label_seq_id
30 Cif _pdbx_unobs_or_zero_occ_atoms.label_atom_id
31 Cif _pdbx_unobs_or_zero_occ_residues LoopLength = 13
31 Cif _pdbx_unobs_or_zero_occ_residues ListOfLines
31 Cif _pdbx_unobs_or_zero_occ_residues.id
31 Cif _pdbx_unobs_or_zero_occ_residues.PDB_model_num
31 Cif _pdbx_unobs_or_zero_occ_residues.polymer_flag
31 Cif _pdbx_unobs_or_zero_occ_residues.occupancy_flag
31 Cif _pdbx_unobs_or_zero_occ_residues.auth_asym_id
31 Cif _pdbx_unobs_or_zero_occ_residues.auth_comp_id
31 Cif _pdbx_unobs_or_zero_occ_residues.auth_seq_id
31 Cif _pdbx_unobs_or_zero_occ_residues.PDB_ins_code
31 Cif _pdbx_unobs_or_zero_occ_residues.label_asym_id
31 Cif _pdbx_unobs_or_zero_occ_residues.label_comp_id
31 Cif _pdbx_unobs_or_zero_occ_residues.label_seq_id
32 Cif _pdbx_entity_nonpoly LoopLength = 3
32 Cif _pdbx_entity_nonpoly ListOfLines
32 Cif _pdbx_entity_nonpoly.entity_id
32 Cif _pdbx_entity_nonpoly.name
32 Cif _pdbx_entity_nonpoly.comp_id
store/synthetases/2O5R.cif Crystal structure of Glutamyl-tRNA synthetase 1 (EC 6.1.1.17) (Glutamate-tRNA ligase 1) (GluRS 1) (TM1351) from Thermotoga maritima at 2.5 A resolution
About organisms
entity 1 gene_src_taxid 2336 gene_src_Name Thermotoga maritima 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 Glutamyl-tRNA
B A 2 non-polymer syn CHLORIDE
C A 2 non-polymer syn CHLORIDE
D A 2 non-polymer syn CHLORIDE
E A 3 non-polymer syn GLYCEROL
F A 4 water nat water
ValuesOf SimpleKeys
_entry.id 2O5R
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.365
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
_pdbx_database_related.db_name TargetDB
_pdbx_database_related.db_id 283212
_pdbx_database_related.details .
_pdbx_database_related.content_type unspecified
_pdbx_database_status.SG_entry Y
_pdbx_database_status.entry_id 2O5R
_pdbx_database_status.deposit_site RCSB
_pdbx_database_status.process_site RCSB
_pdbx_database_status.recvd_initial_deposition_date 2006-12-06
_pdbx_database_status.status_code REL
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_cs ?
_pdbx_database_status.methods_development_category ?
_pdbx_database_status.status_code_nmr_data ?
_audit_author.name Joint Center for Structural Genomics (JCSG)
_audit_author.pdbx_ordinal 1
_citation.id primary
_citation.title Crystal structure of Glutamyl-tRNA synthetase 1 (EC 6.1.1.17) (Glutamate-tRNA ligase 1) (GluRS 1) (TM1351) from Thermotoga maritima at 2.5 A resolution
_citation.journal_abbrev To be published
_citation.journal_volume ?
_citation.page_first ?
_citation.page_last ?
_citation.year ?
_citation.journal_id_ASTM ?
_citation.country ?
_citation.journal_id_ISSN ?
_citation.journal_id_CSD 0353
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed ?
_citation.pdbx_database_id_DOI ?
_citation_author.citation_id primary
_citation_author.name Joint Center for Structural Genomics (JCSG)
_citation_author.ordinal 1
_citation_author.identifier_ORCID ?
_cell.entry_id 2O5R
_cell.length_a 69.953
_cell.length_b 69.953
_cell.length_c 283.945
_cell.angle_alpha 90.000
_cell.angle_beta 90.000
_cell.angle_gamma 120.000
_cell.pdbx_unique_axis ?
_cell.Z_PDB 6
_cell.length_a_esd ?
_cell.length_b_esd ?
_cell.length_c_esd ?
_cell.angle_alpha_esd ?
_cell.angle_beta_esd ?
_cell.angle_gamma_esd ?
_symmetry.entry_id 2O5R
_symmetry.Int_Tables_number 152
_symmetry.space_group_name_H-M P 31 2 1
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.space_group_name_Hall ?
_entity_name_com.entity_id 1
_entity_name_com.name Glutamate-tRNA ligase 1, GluRS 1
_entity_poly.entity_id 1
_entity_poly.type polypeptide(L)
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer yes
_entity_poly.pdbx_seq_one_letter_code (MSE)GSDKIHHHHHH(MSE)VRVRFAPSPTGFLHVGGARTALFNFLFARKEKGKFILRIEDTDLERSEREYEEKL
(MSE)ESLRWLGLLWDEGPDVGGDHGPYRQSERVEIYREHAERLVKEGKAYYVYAYPEEIEE(MSE)REKLLSEGKAPHY
SQE(MSE)FEKFDTPERRREYEEKGLRPAVFFK(MSE)PRKDYVLNDVVKGEVVFKTGAIGDFVI(MSE)RSNGLPTYNF
ACVVDD(MSE)L(MSE)EITHVIRGDDHLSNTLRQLALYEAFEKAPPVFAHVSTILGPDGKKLSKRHGATSVEAFRD
(MSE)GYLPEALVNYLALLGWSHPEGKELLTLEELISSFSLDRLSPNPAIFDPQKLKW(MSE)NGYYLRN(MSE)PIEKL
AELAKPFFEKAGIKIIDEEYFKKVLEITKERVEVLSEFPEESRFFFEDPAPVEIPEE(MSE)KEVFSQLKEELQNVRWT
(MSE)EEITPVFKKVLKQHGVKPKEFY(MSE)TLRRVLTGREEGPELVNIIPLLGKEIFLRRIERSLGG
_entity_poly.pdbx_seq_one_letter_code_can MGSDKIHHHHHHMVRVRFAPSPTGFLHVGGARTALFNFLFARKEKGKFILRIEDTDLERSEREYEEKLMESLRWLGLLWD
EGPDVGGDHGPYRQSERVEIYREHAERLVKEGKAYYVYAYPEEIEEMREKLLSEGKAPHYSQEMFEKFDTPERRREYEEK
GLRPAVFFKMPRKDYVLNDVVKGEVVFKTGAIGDFVIMRSNGLPTYNFACVVDDMLMEITHVIRGDDHLSNTLRQLALYE
AFEKAPPVFAHVSTILGPDGKKLSKRHGATSVEAFRDMGYLPEALVNYLALLGWSHPEGKELLTLEELISSFSLDRLSPN
PAIFDPQKLKWMNGYYLRNMPIEKLAELAKPFFEKAGIKIIDEEYFKKVLEITKERVEVLSEFPEESRFFFEDPAPVEIP
EEMKEVFSQLKEELQNVRWTMEEITPVFKKVLKQHGVKPKEFYMTLRRVLTGREEGPELVNIIPLLGKEIFLRRIERSLG
G
_entity_poly.pdbx_strand_id A
_entity_poly.pdbx_target_identifier 283212
_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 ?
_entity_src_gen.pdbx_beg_seq_num ?
_entity_src_gen.pdbx_end_seq_num ?
_entity_src_gen.gene_src_common_name ?
_entity_src_gen.gene_src_genus Thermotoga
_entity_src_gen.pdbx_gene_src_gene gltX1
_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 Thermotoga maritima
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 2336
_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 Escherichia
_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 Plasmid
_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 SYE1_THEMA
_struct_ref.pdbx_db_accession Q9X172
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code MVRVRFAPSPTGFLHVGGARTALFNFLFARKEKGKFILRIEDTDLERSEREYEEKLMESLRWLGLLWDEGPDVGGDHGPY
RQSERVEIYREHAERLVKEGKAYYVYAYPEEIEEMREKLLSEGKAPHYSQEMFEKFDTPERRREYEEKGLRPAVFFKMPR
KDYVLNDVVKGEVVFKTGAIGDFVIMRSNGLPTYNFACVVDDMLMEITHVIRGDDHLSNTLRQLALYEAFEKAPPVFAHV
STILGPDGKKLSKRHGATSVEAFRDMGYLPEALVNYLALLGWSHPEGKELLTLEELISSFSLDRLSPNPAIFDPQKLKWM
NGYYLRNMPIEKLAELAKPFFEKAGIKIIDEEYFKKVLEITKERVEVLSEFPEESRFFFEDPAPVEIPEEMKEVFSQLKE
ELQNVRWTMEEITPVFKKVLKQHGVKPKEFYMTLRRVLTGREEGPELVNIIPLLGKEIFLRRIERSLGG
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_db_isoform ?
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 2O5R
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 13
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 481
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession Q9X172
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 469
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 1
_struct_ref_seq.pdbx_auth_seq_align_end 469
_exptl.crystals_number 1
_exptl.method X-RAY DIFFRACTION
_exptl.entry_id 2O5R
_exptl_crystal.id 1
_exptl_crystal.density_Matthews 3.53
_exptl_crystal.density_meas ?
_exptl_crystal.density_percent_sol 65.11
_exptl_crystal.description THE EXPERIMENTAL MAD MAP WAS PARTIALLY AUTOTRACED WITH RESOLVE. TO AID IN COMPLETING THE TRACE, A MOLECULAR REPLACEMENT SOLUTION (USING 1G59 CHAIN-A AS A SEARCH MODEL) THAT HAD BEEN PARTIALLY REFINED AGAINST A LOWER RESOLUTION TM1351 DATA SET WAS SUPERIMPOSED ON AUTOTRACED MODEL.
_exptl_crystal.F_000 ?
_exptl_crystal.preparation ?
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method VAPOR DIFFUSION, SITTING DROP, NANODROP
_exptl_crystal_grow.pH 8.0
_exptl_crystal_grow.temp 277
_exptl_crystal_grow.pdbx_details 0.2M CaAcetate, 10.0% PEG-8000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pdbx_pH_range .
_diffrn.id 1
_diffrn.ambient_temp 100
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector CCD
_diffrn_detector.type MARMOSAIC 300 mm CCD
_diffrn_detector.details Adjustable focusing mirrors in K-B geometry
_diffrn_detector.pdbx_collection_date 2006-08-11
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator Si(111) Double Crystal Monochromator
_diffrn_radiation.pdbx_diffrn_protocol MAD
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_scattering_type x-ray
_diffrn_source.diffrn_id 1
_diffrn_source.source SYNCHROTRON
_diffrn_source.pdbx_synchrotron_beamline 23-ID-D
_diffrn_source.type APS BEAMLINE 23-ID-D
_diffrn_source.pdbx_wavelength_list 0.94926, 0.97925, 0.97939
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_synchrotron_site APS
_reflns.entry_id 2O5R
_reflns.d_resolution_high 2.340
_reflns.d_resolution_low 47.351
_reflns.number_obs 35284
_reflns.pdbx_Rmerge_I_obs 0.165
_reflns.pdbx_netI_over_sigmaI 6.6
_reflns.percent_possible_obs 99.9
_reflns.B_iso_Wilson_estimate 46.8
_reflns.observed_criterion_sigma_F ?
_reflns.observed_criterion_sigma_I ?
_reflns.number_all ?
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_redundancy ?
_reflns.R_free_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.observed_criterion_F_max ?
_reflns.observed_criterion_F_min ?
_reflns.pdbx_chi_squared ?
_reflns.pdbx_scaling_rejects ?
_reflns.pdbx_ordinal 1
_reflns.pdbx_diffrn_id 1
_refine.entry_id 2O5R
_refine.ls_d_res_high 2.340
_refine.ls_d_res_low 47.351
_refine.pdbx_ls_sigma_F 0.00
_refine.ls_percent_reflns_obs 85.960
_refine.ls_number_reflns_obs 30264
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.pdbx_R_Free_selection_details RANDOM
_refine.details 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4. GOL MOLECULES FROM THE CRYSTALLIZATION/CRYO SOLUTION ARE MODELED. 5. UNEXPLAINED DENSITY NEAR A15, A323, AND A432. 6. DUE TO STRONG ICE RINGS 4928 REFLECTIONS BETWEEN 2.732-2.654, 2.584-2.551, AND 2.463-2.411 ANGSTROMS WERE OMITTED FROM THE FINAL REFINEMENT. 7. THE NOMINAL RESOLUTION IS 2.50 A WITH 4299 OBSERVED REFLECTIONS BETWEEN 2.50-2.34 (69.1% COMPLETE FOR THIS SHELL) INCLUDED IN THE REFINEMENT.
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.234
_refine.ls_R_factor_R_free 0.268
_refine.ls_percent_reflns_R_free 5.000
_refine.ls_number_reflns_R_free 1524
_refine.B_iso_mean 23.855
_refine.correlation_coeff_Fo_to_Fc 0.944
_refine.correlation_coeff_Fo_to_Fc_free 0.924
_refine.pdbx_overall_ESU_R 0.319
_refine.pdbx_overall_ESU_R_Free 0.247
_refine.overall_SU_ML 0.278
_refine.overall_SU_B 27.009
_refine.solvent_model_details BABINET MODEL WITH MASK
_refine.pdbx_solvent_vdw_probe_radii 1.200
_refine.pdbx_solvent_ion_probe_radii 0.800
_refine.pdbx_solvent_shrinkage_radii 0.800
_refine.pdbx_method_to_determine_struct MAD, MOLECULAR REPLACEMENT
_refine.pdbx_stereochemistry_target_values MAXIMUM LIKELIHOOD WITH PHASES
_refine.pdbx_starting_model pdb entry 1G59 Chain A
_refine.pdbx_ls_sigma_I ?
_refine.ls_number_reflns_all ?
_refine.ls_R_factor_obs 0.236
_refine.ls_redundancy_reflns_obs ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.solvent_model_param_bsol ?
_refine.solvent_model_param_ksol ?
_refine.occupancy_max ?
_refine.occupancy_min ?
_refine.pdbx_isotropic_thermal_model ?
_refine.B_iso_min ?
_refine.B_iso_max ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_wR_factor_R_free ?
_refine.ls_wR_factor_R_work ?
_refine.overall_FOM_free_R_set ?
_refine.overall_FOM_work_R_set ?
_refine.pdbx_refine_id X-RAY DIFFRACTION
_refine.pdbx_TLS_residual_ADP_flag LIKELY RESIDUAL
_refine.pdbx_diffrn_id 1
_refine.pdbx_overall_phase_error ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
_refine_hist.pdbx_refine_id X-RAY DIFFRACTION
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 3828
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 9
_refine_hist.number_atoms_solvent 60
_refine_hist.number_atoms_total 3897
_refine_hist.d_res_high 2.340
_refine_hist.d_res_low 47.351
_refine_ls_shell.d_res_high 2.340
_refine_ls_shell.d_res_low 2.401
_refine_ls_shell.pdbx_total_number_of_bins_used 20
_refine_ls_shell.percent_reflns_obs 99.920
_refine_ls_shell.number_reflns_R_work 2431
_refine_ls_shell.R_factor_all ?
_refine_ls_shell.R_factor_R_work 0.404
_refine_ls_shell.R_factor_R_free 0.391
_refine_ls_shell.percent_reflns_R_free ?
_refine_ls_shell.number_reflns_R_free 129
_refine_ls_shell.R_factor_R_free_error ?
_refine_ls_shell.number_reflns_all ?
_refine_ls_shell.number_reflns_obs 2560
_refine_ls_shell.redundancy_reflns_obs ?
_refine_ls_shell.pdbx_refine_id X-RAY DIFFRACTION
_struct.entry_id 2O5R
_struct.title Crystal structure of Glutamyl-tRNA synthetase 1 (EC 6.1.1.17) (Glutamate-tRNA ligase 1) (GluRS 1) (TM1351) from Thermotoga maritima at 2.5 A resolution
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
_struct_keywords.text TM1351, Glutamyl-tRNA synthetase 1, EC 6.1.1.17, Glutamate-tRNA ligase 1, GluRS 1, Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI-2, LIGASE
_struct_keywords.pdbx_keywords LIGASE
_struct_keywords.entry_id 2O5R
_struct_biol.id 1
_struct_biol.details SIZE EXCLUSION CHROMATOGRAPHY SUPPORTS THE ASSIGNMENT OF
A MONOMER AS THE SIGNIFICANT OLIGOMERIZATION STATE.
_struct_biol.pdbx_parent_biol_id ?
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
_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 GLY
_struct_mon_prot_cis.label_seq_id 90
_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 GLY
_struct_mon_prot_cis.auth_seq_id 78
_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 91
_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 79
_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 -0.64
_atom_sites.entry_id 2O5R
_pdbx_SG_project.project_name PSI, Protein Structure Initiative
_pdbx_SG_project.full_name_of_center Joint Center for Structural Genomics
_pdbx_SG_project.id 1
_pdbx_SG_project.initial_of_center JCSG
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_defined_assembly
_pdbx_struct_assembly.method_details ?
_pdbx_struct_assembly.oligomeric_details monomeric
_pdbx_struct_assembly.oligomeric_count 1
_pdbx_struct_assembly_gen.assembly_id 1
_pdbx_struct_assembly_gen.oper_expression 1
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F
_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_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 ?
_phasing.method MAD/MR
_pdbx_database_remark.id 300
_pdbx_database_remark.text BIOMOLECULE: 1
THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
WHICH CONSISTS OF 1 CHAINS. SEE REMARK 350 FOR
INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
SIZE EXCLUSION CHROMATOGRAPHY SUPPORTS THE ASSIGNMENT OF
A MONOMER AS THE SIGNIFICANT OLIGOMERIZATION STATE.
_pdbx_validate_rmsd_angle.id 1
_pdbx_validate_rmsd_angle.PDB_model_num 1
_pdbx_validate_rmsd_angle.auth_atom_id_1 NE
_pdbx_validate_rmsd_angle.auth_asym_id_1 A
_pdbx_validate_rmsd_angle.auth_comp_id_1 ARG
_pdbx_validate_rmsd_angle.auth_seq_id_1 39
_pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
_pdbx_validate_rmsd_angle.label_alt_id_1 ?
_pdbx_validate_rmsd_angle.auth_atom_id_2 CZ
_pdbx_validate_rmsd_angle.auth_asym_id_2 A
_pdbx_validate_rmsd_angle.auth_comp_id_2 ARG
_pdbx_validate_rmsd_angle.auth_seq_id_2 39
_pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
_pdbx_validate_rmsd_angle.label_alt_id_2 ?
_pdbx_validate_rmsd_angle.auth_atom_id_3 NH2
_pdbx_validate_rmsd_angle.auth_asym_id_3 A
_pdbx_validate_rmsd_angle.auth_comp_id_3 ARG
_pdbx_validate_rmsd_angle.auth_seq_id_3 39
_pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
_pdbx_validate_rmsd_angle.label_alt_id_3 ?
_pdbx_validate_rmsd_angle.angle_value 117.29
_pdbx_validate_rmsd_angle.angle_target_value 120.30
_pdbx_validate_rmsd_angle.angle_deviation -3.01
_pdbx_validate_rmsd_angle.angle_standard_deviation 0.50
_pdbx_validate_rmsd_angle.linker_flag N
_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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