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Help:   
      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/2G36.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.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.status_code_cs
Cif _pdbx_database_status.pdb_format_compatible
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 _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.Int_Tables_number
Cif _symmetry.space_group_name_H-M
Cif _symmetry.entry_id
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_percent_sol
Cif _exptl_crystal.density_Matthews
Cif _exptl_crystal.description
Cif _exptl_crystal.density_meas
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_radiation_wavelength.id
Cif _diffrn_radiation_wavelength.wavelength
Cif _diffrn_radiation_wavelength.wt
Cif _diffrn_source.diffrn_id
Cif _diffrn_source.source
Cif _diffrn_source.pdbx_synchrotron_beamline
Cif _diffrn_source.type
Cif _diffrn_source.pdbx_wavelength
Cif _diffrn_source.pdbx_wavelength_list
Cif _diffrn_source.pdbx_synchrotron_site
Cif _reflns.entry_id
Cif _reflns.d_resolution_high
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.d_resolution_low
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.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.entry_id
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 _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_audit_revision_details.ordinal
Cif _pdbx_audit_revision_details.revision_ordinal
Cif _pdbx_audit_revision_details.data_content_type
Cif _pdbx_audit_revision_details.provider
Cif _pdbx_audit_revision_details.type
Cif _pdbx_audit_revision_details.description
Cif _pdbx_audit_revision_details.details
Cif _pdbx_refine_tls_group.refine_tls_id
Cif _pdbx_refine_tls_group.beg_label_seq_id
Cif _pdbx_refine_tls_group.end_label_seq_id
Cif _pdbx_refine_tls_group.beg_auth_asym_id
Cif _pdbx_refine_tls_group.end_auth_asym_id
Cif _pdbx_refine_tls_group.pdbx_refine_id
Cif _phasing.method
Cif _pdbx_database_remark.id
Cif _pdbx_database_remark.text
Cif _pdbx_validate_close_contact.id
Cif _pdbx_validate_close_contact.PDB_model_num
Cif _pdbx_validate_close_contact.auth_atom_id_1
Cif _pdbx_validate_close_contact.auth_asym_id_1
Cif _pdbx_validate_close_contact.auth_comp_id_1
Cif _pdbx_validate_close_contact.auth_seq_id_1
Cif _pdbx_validate_close_contact.PDB_ins_code_1
Cif _pdbx_validate_close_contact.label_alt_id_1
Cif _pdbx_validate_close_contact.auth_atom_id_2
Cif _pdbx_validate_close_contact.auth_asym_id_2
Cif _pdbx_validate_close_contact.auth_comp_id_2
Cif _pdbx_validate_close_contact.auth_seq_id_2
Cif _pdbx_validate_close_contact.PDB_ins_code_2
Cif _pdbx_validate_close_contact.label_alt_id_2
Cif _pdbx_validate_close_contact.dist


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 _citation_author LoopLength = 44
1 Cif _citation_author ListOfLines
1 Cif _citation_author.citation_id
1 Cif _citation_author.name
1 Cif _citation_author.ordinal
1 Cif _citation_author.identifier_ORCID
 
2 Cif _entity LoopLength = 4
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_poly_seq LoopLength = 340
3 Cif _entity_poly_seq ListOfLines
3 Cif _entity_poly_seq.entity_id
3 Cif _entity_poly_seq.num
3 Cif _entity_poly_seq.mon_id
3 Cif _entity_poly_seq.hetero
 
4 Cif _struct_ref_seq_dif LoopLength = 12
4 Cif _struct_ref_seq_dif ListOfLines
4 Cif _struct_ref_seq_dif.align_id
4 Cif _struct_ref_seq_dif.pdbx_pdb_id_code
4 Cif _struct_ref_seq_dif.mon_id
4 Cif _struct_ref_seq_dif.pdbx_pdb_strand_id
4 Cif _struct_ref_seq_dif.seq_num
4 Cif _struct_ref_seq_dif.pdbx_pdb_ins_code
4 Cif _struct_ref_seq_dif.pdbx_seq_db_name
4 Cif _struct_ref_seq_dif.pdbx_seq_db_accession_code
4 Cif _struct_ref_seq_dif.db_mon_id
4 Cif _struct_ref_seq_dif.pdbx_seq_db_seq_num
4 Cif _struct_ref_seq_dif.details
4 Cif _struct_ref_seq_dif.pdbx_auth_seq_num
4 Cif _struct_ref_seq_dif.pdbx_ordinal
 
5 Cif _chem_comp LoopLength = 22
5 Cif _chem_comp ListOfLines
5 Cif _chem_comp.id
5 Cif _chem_comp.type
5 Cif _chem_comp.mon_nstd_flag
5 Cif _chem_comp.name
5 Cif _chem_comp.pdbx_synonyms
5 Cif _chem_comp.formula
5 Cif _chem_comp.formula_weight
 
6 Cif _reflns_shell LoopLength = 9
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 = 24
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 = 4
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 = 19
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 = 4
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 = 2
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 = 3
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 = 5
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 = 3
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 = 2
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 = 20
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 = 5
17 Cif _atom_type ListOfLines
17 Cif _atom_type.symbol
 
18 Cif _atom_site LoopLength = 2642
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 = 340
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 = 58
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_assembly_prop LoopLength = 3
21 Cif _pdbx_struct_assembly_prop ListOfLines
21 Cif _pdbx_struct_assembly_prop.biol_id
21 Cif _pdbx_struct_assembly_prop.type
21 Cif _pdbx_struct_assembly_prop.value
21 Cif _pdbx_struct_assembly_prop.details
 
22 Cif _pdbx_struct_oper_list LoopLength = 11
22 Cif _pdbx_struct_oper_list ListOfLines
22 Cif _pdbx_struct_oper_list.id
22 Cif _pdbx_struct_oper_list.type
22 Cif _pdbx_struct_oper_list.name
22 Cif _pdbx_struct_oper_list.symmetry_operation
 
23 Cif _pdbx_struct_conn_angle LoopLength = 24
23 Cif _pdbx_struct_conn_angle ListOfLines
23 Cif _pdbx_struct_conn_angle.id
23 Cif _pdbx_struct_conn_angle.ptnr1_label_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr1_label_alt_id
23 Cif _pdbx_struct_conn_angle.ptnr1_label_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr1_label_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr1_label_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr1_auth_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr1_auth_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr1_auth_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr1_auth_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr1_PDB_ins_code
23 Cif _pdbx_struct_conn_angle.ptnr1_symmetry
23 Cif _pdbx_struct_conn_angle.ptnr2_label_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr2_label_alt_id
23 Cif _pdbx_struct_conn_angle.ptnr2_label_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr2_label_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr2_label_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr2_auth_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr2_auth_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr2_auth_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr2_auth_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr2_PDB_ins_code
23 Cif _pdbx_struct_conn_angle.ptnr2_symmetry
23 Cif _pdbx_struct_conn_angle.ptnr3_label_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr3_label_alt_id
23 Cif _pdbx_struct_conn_angle.ptnr3_label_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr3_label_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr3_label_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr3_auth_atom_id
23 Cif _pdbx_struct_conn_angle.ptnr3_auth_asym_id
23 Cif _pdbx_struct_conn_angle.ptnr3_auth_comp_id
23 Cif _pdbx_struct_conn_angle.ptnr3_auth_seq_id
23 Cif _pdbx_struct_conn_angle.ptnr3_PDB_ins_code
23 Cif _pdbx_struct_conn_angle.ptnr3_symmetry
23 Cif _pdbx_struct_conn_angle.value
23 Cif _pdbx_struct_conn_angle.value_esd
 
24 Cif _pdbx_audit_revision_history LoopLength = 5
24 Cif _pdbx_audit_revision_history ListOfLines
24 Cif _pdbx_audit_revision_history.ordinal
24 Cif _pdbx_audit_revision_history.data_content_type
24 Cif _pdbx_audit_revision_history.major_revision
24 Cif _pdbx_audit_revision_history.minor_revision
24 Cif _pdbx_audit_revision_history.revision_date
 
25 Cif _pdbx_audit_revision_group LoopLength = 7
25 Cif _pdbx_audit_revision_group ListOfLines
25 Cif _pdbx_audit_revision_group.ordinal
25 Cif _pdbx_audit_revision_group.revision_ordinal
25 Cif _pdbx_audit_revision_group.data_content_type
25 Cif _pdbx_audit_revision_group.group
 
26 Cif _pdbx_audit_revision_category LoopLength = 6
26 Cif _pdbx_audit_revision_category ListOfLines
26 Cif _pdbx_audit_revision_category.ordinal
26 Cif _pdbx_audit_revision_category.revision_ordinal
26 Cif _pdbx_audit_revision_category.data_content_type
26 Cif _pdbx_audit_revision_category.category
 
27 Cif _pdbx_audit_revision_item LoopLength = 25
27 Cif _pdbx_audit_revision_item ListOfLines
27 Cif _pdbx_audit_revision_item.ordinal
27 Cif _pdbx_audit_revision_item.revision_ordinal
27 Cif _pdbx_audit_revision_item.data_content_type
27 Cif _pdbx_audit_revision_item.item
 
28 Cif _pdbx_refine_tls LoopLength = 18
28 Cif _pdbx_refine_tls ListOfLines
28 Cif _pdbx_refine_tls.id
28 Cif _pdbx_refine_tls.details
28 Cif _pdbx_refine_tls.method
28 Cif _pdbx_refine_tls.origin_x
28 Cif _pdbx_refine_tls.origin_y
28 Cif _pdbx_refine_tls.origin_z
 
29 Cif _software LoopLength = 5
29 Cif _software ListOfLines
29 Cif _software.name
29 Cif _software.version
29 Cif _software.date
29 Cif _software.type
29 Cif _software.contact_author
29 Cif _software.contact_author_email
29 Cif _software.classification
29 Cif _software.location
29 Cif _software.language
29 Cif _software.citation_id
29 Cif _software.pdbx_ordinal
 
30 Cif _pdbx_validate_torsion LoopLength = 6
30 Cif _pdbx_validate_torsion ListOfLines
30 Cif _pdbx_validate_torsion.id
30 Cif _pdbx_validate_torsion.PDB_model_num
30 Cif _pdbx_validate_torsion.auth_comp_id
30 Cif _pdbx_validate_torsion.auth_asym_id
30 Cif _pdbx_validate_torsion.auth_seq_id
30 Cif _pdbx_validate_torsion.PDB_ins_code
30 Cif _pdbx_validate_torsion.label_alt_id
30 Cif _pdbx_validate_torsion.phi
30 Cif _pdbx_validate_torsion.psi
 
31 Cif _pdbx_unobs_or_zero_occ_atoms LoopLength = 56
31 Cif _pdbx_unobs_or_zero_occ_atoms ListOfLines
31 Cif _pdbx_unobs_or_zero_occ_atoms.id
31 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
31 Cif _pdbx_unobs_or_zero_occ_atoms.polymer_flag
31 Cif _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
31 Cif _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
31 Cif _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.label_alt_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.label_asym_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.label_comp_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.label_seq_id
31 Cif _pdbx_unobs_or_zero_occ_atoms.label_atom_id
 
32 Cif _pdbx_unobs_or_zero_occ_residues LoopLength = 18
32 Cif _pdbx_unobs_or_zero_occ_residues ListOfLines
32 Cif _pdbx_unobs_or_zero_occ_residues.id
32 Cif _pdbx_unobs_or_zero_occ_residues.PDB_model_num
32 Cif _pdbx_unobs_or_zero_occ_residues.polymer_flag
32 Cif _pdbx_unobs_or_zero_occ_residues.occupancy_flag
32 Cif _pdbx_unobs_or_zero_occ_residues.auth_asym_id
32 Cif _pdbx_unobs_or_zero_occ_residues.auth_comp_id
32 Cif _pdbx_unobs_or_zero_occ_residues.auth_seq_id
32 Cif _pdbx_unobs_or_zero_occ_residues.PDB_ins_code
32 Cif _pdbx_unobs_or_zero_occ_residues.label_asym_id
32 Cif _pdbx_unobs_or_zero_occ_residues.label_comp_id
32 Cif _pdbx_unobs_or_zero_occ_residues.label_seq_id
 
33 Cif _pdbx_entity_nonpoly LoopLength = 3
33 Cif _pdbx_entity_nonpoly ListOfLines
33 Cif _pdbx_entity_nonpoly.entity_id
33 Cif _pdbx_entity_nonpoly.name
33 Cif _pdbx_entity_nonpoly.comp_id
 
34 Cif _pdbx_struct_assembly_auth_evidence LoopLength = 2
34 Cif _pdbx_struct_assembly_auth_evidence ListOfLines
34 Cif _pdbx_struct_assembly_auth_evidence.id
34 Cif _pdbx_struct_assembly_auth_evidence.assembly_id
34 Cif _pdbx_struct_assembly_auth_evidence.experimental_support
34 Cif _pdbx_struct_assembly_auth_evidence.details




store/synthetases/2G36.cif  Crystal structure of Tryptophanyl-tRNA synthetase (EC 6.1.1.2) (Tryptophan-tRNA ligase)(TrpRS) (tm0492) from THERMOTOGA MARITIMA at 2.50 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 Tryptophanyl-tRNA
B	A	2 non-polymer syn IRON/SULFUR
C	A	3 non-polymer syn TRYPTOPHAN
D	A	4 water nat water

ValuesOf SimpleKeys
_entry.id                                            2G36
_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                         282365
_pdbx_database_related.details                       .
_pdbx_database_related.content_type                  unspecified
_pdbx_database_status.SG_entry                       Y
_pdbx_database_status.entry_id                       2G36
_pdbx_database_status.deposit_site                   RCSB
_pdbx_database_status.process_site                   RCSB
_pdbx_database_status.recvd_initial_deposition_date  2006-02-17
_pdbx_database_status.status_code                    REL
_pdbx_database_status.status_code_sf                 REL
_pdbx_database_status.status_code_mr                 ?
_pdbx_database_status.status_code_cs                 ?
_pdbx_database_status.pdb_format_compatible          Y
_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                                      Structure of a tryptophanyl-tRNA synthetase containing an iron-sulfur cluster.
_citation.journal_abbrev                             Acta Crystallogr.,Sect.F
_citation.journal_volume                             66
_citation.page_first                                 1326
_citation.page_last                                  1334
_citation.year                                       2010
_citation.journal_id_ASTM                            ?
_citation.country                                    DK
_citation.journal_id_ISSN                            1744-3091
_citation.journal_id_CSD                             ?
_citation.book_publisher                             ?
_citation.pdbx_database_id_PubMed                    20944229
_citation.pdbx_database_id_DOI                       10.1107/S1744309110037619
_cell.entry_id                                       2G36
_cell.length_a                                       122.890
_cell.length_b                                       152.730
_cell.length_c                                       53.070
_cell.angle_alpha                                    90.000
_cell.angle_beta                                     90.000
_cell.angle_gamma                                    90.000
_cell.pdbx_unique_axis                               ?
_cell.Z_PDB                                          8
_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.Int_Tables_number                          20
_symmetry.space_group_name_H-M                       C 2 2 21
_symmetry.entry_id                                   2G36
_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                                Tryptophan-tRNA ligase, TrpRS
_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                MGSDKIHHHHHHMRILSGMRPTGKLHIGHLVGALENWVKLQEEGNECFYFVADWHALTTHYDDVSKLKEYTRDLVRGFLA
CGIDPEKSVIFVQSGVKEHAELALLFSMIVSVSRLERVPTYKEIKSELNYKDLSTAGFLIYPVLQAADILIYKAEGVPVG
EDQVYHIELTREIARRFNYLYDEVFPEPEAILSRVPKLPGTDGRKMSKSYGNIINLEISEKELEQTILRMMTDPARVRRS
DPGNPENCPVWKYHQAFDISEEESKWVWEGCTTASIGCVDCKKLLLKNMKRKLAPIWENFRKIDEDPHYVDDVIMEGTKK
AREVAAKTMEEVRRAMNLMF
_entity_poly.pdbx_seq_one_letter_code_can            MGSDKIHHHHHHMRILSGMRPTGKLHIGHLVGALENWVKLQEEGNECFYFVADWHALTTHYDDVSKLKEYTRDLVRGFLA
CGIDPEKSVIFVQSGVKEHAELALLFSMIVSVSRLERVPTYKEIKSELNYKDLSTAGFLIYPVLQAADILIYKAEGVPVG
EDQVYHIELTREIARRFNYLYDEVFPEPEAILSRVPKLPGTDGRKMSKSYGNIINLEISEKELEQTILRMMTDPARVRRS
DPGNPENCPVWKYHQAFDISEEESKWVWEGCTTASIGCVDCKKLLLKNMKRKLAPIWENFRKIDEDPHYVDDVIMEGTKK
AREVAAKTMEEVRRAMNLMF
_entity_poly.pdbx_strand_id                          A
_entity_poly.pdbx_target_identifier                  282365
_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                   trpS
_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                                  SYW_THEMA
_struct_ref.pdbx_db_accession                        Q9WYW2
_struct_ref.entity_id                                1
_struct_ref.pdbx_seq_one_letter_code                 MRILSGMRPTGKLHIGHLVGALENWVKLQEEGNECFYFVADWHALTTHYDDVSKLKEYTRDLVRGFLACGIDPEKSVIFV
QSGVKEHAELALLFSMIVSVSRLERVPTYKEIKSELNYKDLSTAGFLIYPVLQAADILIYKAEGVPVGEDQVYHIELTRE
IARRFNYLYDEVFPEPEAILSRVPKLPGTDGRKMSKSYGNIINLEISEKELEQTILRMMTDPARVRRSDPGNPENCPVWK
YHQAFDISEEESKWVWEGCTTASIGCVDCKKLLLKNMKRKLAPIWENFRKIDEDPHYVDDVIMEGTKKAREVAAKTMEEV
RRAMNLMF
_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                     2G36
_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                        340
_struct_ref_seq.pdbx_seq_align_end_ins_code          ?
_struct_ref_seq.pdbx_db_accession                    Q9WYW2
_struct_ref_seq.db_align_beg                         1
_struct_ref_seq.pdbx_db_align_beg_ins_code           ?
_struct_ref_seq.db_align_end                         328
_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              328
_exptl.crystals_number                               1
_exptl.method                                        X-RAY DIFFRACTION
_exptl.entry_id                                      2G36
_exptl_crystal.id                                    1
_exptl_crystal.density_percent_sol                   63.17
_exptl_crystal.density_Matthews                      3.37
_exptl_crystal.description                           ?
_exptl_crystal.density_meas                          ?
_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                               6.5
_exptl_crystal_grow.temp                             277
_exptl_crystal_grow.pdbx_details                     12.5% PEG-3000, 0.25M MgCl2, 0.1M Cacodylate pH 6.5, 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                                ADSC QUANTUM 315
_diffrn_detector.details                             ?
_diffrn_detector.pdbx_collection_date                2005-12-15
_diffrn_radiation.diffrn_id                          1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l     M
_diffrn_radiation.monochromator                      Double Crystal Si(111)
_diffrn_radiation.pdbx_diffrn_protocol               SINGLE WAVELENGTH
_diffrn_radiation.wavelength_id                      1
_diffrn_radiation.pdbx_scattering_type               x-ray
_diffrn_radiation_wavelength.id                      1
_diffrn_radiation_wavelength.wavelength              1.00
_diffrn_radiation_wavelength.wt                      1.0
_diffrn_source.diffrn_id                             1
_diffrn_source.source                                SYNCHROTRON
_diffrn_source.pdbx_synchrotron_beamline             8.2.2
_diffrn_source.type                                  ALS BEAMLINE 8.2.2
_diffrn_source.pdbx_wavelength                       ?
_diffrn_source.pdbx_wavelength_list                  1.00
_diffrn_source.pdbx_synchrotron_site                 ALS
_reflns.entry_id                                     2G36
_reflns.d_resolution_high                            2.500
_reflns.number_obs                                   17636
_reflns.pdbx_Rmerge_I_obs                            0.078
_reflns.pdbx_netI_over_sigmaI                        8.820
_reflns.percent_possible_obs                         91.400
_reflns.B_iso_Wilson_estimate                        49.406
_reflns.observed_criterion_sigma_F                   ?
_reflns.observed_criterion_sigma_I                   ?
_reflns.d_resolution_low                             29.64
_reflns.number_all                                   ?
_reflns.pdbx_Rsym_value                              ?
_reflns.pdbx_redundancy                              1.93
_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.ls_d_res_high                                2.500
_refine.ls_d_res_low                                 29.64
_refine.pdbx_ls_sigma_F                              0.00
_refine.ls_percent_reflns_obs                        99.280
_refine.ls_number_reflns_obs                         17623
_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) IN THE ACTIVE SITE, L-TRYPTOPHAN WAS MODELLED
 BASED ON ELECTRON DENSITY.
 (3) A [4FE-4S] IS COORDINATED TO THE SIDE CHAINS OF
 CYS 236,259,266 AND 269. BASED ON ELECTRON DENSITY
 AND ITS GEOMETRY, IRON SULFUR CLUSTER IS VERY
 CONCLUSIVE. X-RAY FLUORESCENCE EXPERIMENTS CONFIRMED
 THE PRESENCE OF IRON.
 (4) THE RESIDUES OF A113 TO A119 WERE NOT VISIBLE
 IN THE ELECTRON DENSITY MAPS.
_refine.ls_R_factor_all                              0.197
_refine.ls_R_factor_R_work                           0.194
_refine.ls_R_factor_R_free                           0.256
_refine.ls_percent_reflns_R_free                     5.100
_refine.ls_number_reflns_R_free                      894
_refine.B_iso_mean                                   35.567
_refine.correlation_coeff_Fo_to_Fc                   0.950
_refine.correlation_coeff_Fo_to_Fc_free              0.921
_refine.pdbx_overall_ESU_R                           0.324
_refine.pdbx_overall_ESU_R_Free                      0.259
_refine.overall_SU_ML                                0.196
_refine.overall_SU_B                                 19.016
_refine.solvent_model_details                        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              MOLECULAR REPLACEMENT
_refine.pdbx_stereochemistry_target_values           MAXIMUM LIKELIHOOD
_refine.pdbx_starting_model                          1yi8B
_refine.entry_id                                     2G36
_refine.pdbx_ls_sigma_I                              ?
_refine.ls_number_reflns_all                         ?
_refine.ls_R_factor_obs                              0.19724
_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               2547
_refine_hist.pdbx_number_atoms_nucleic_acid          0
_refine_hist.pdbx_number_atoms_ligand                23
_refine_hist.number_atoms_solvent                    56
_refine_hist.number_atoms_total                      2626
_refine_hist.d_res_high                              2.500
_refine_hist.d_res_low                               29.64
_refine_ls_shell.d_res_high                          2.500
_refine_ls_shell.d_res_low                           2.565
_refine_ls_shell.pdbx_total_number_of_bins_used      20
_refine_ls_shell.percent_reflns_obs                  98.910
_refine_ls_shell.number_reflns_R_work                1213
_refine_ls_shell.R_factor_all                        ?
_refine_ls_shell.R_factor_R_work                     0.327
_refine_ls_shell.R_factor_R_free                     0.463
_refine_ls_shell.percent_reflns_R_free               ?
_refine_ls_shell.number_reflns_R_free                61
_refine_ls_shell.R_factor_R_free_error               ?
_refine_ls_shell.number_reflns_all                   ?
_refine_ls_shell.number_reflns_obs                   1274
_refine_ls_shell.redundancy_reflns_obs               ?
_refine_ls_shell.pdbx_refine_id                      X-RAY DIFFRACTION
_struct.entry_id                                     2G36
_struct.title                                        Crystal structure of Tryptophanyl-tRNA synthetase (EC 6.1.1.2) (Tryptophan-tRNA ligase)(TrpRS) (tm0492) from THERMOTOGA MARITIMA at 2.50 A resolution
_struct.pdbx_model_details                           ?
_struct.pdbx_CASP_flag                               ?
_struct.pdbx_model_type_details                      ?
_struct_keywords.text                                tm0492, Tryptophanyl-tRNA synthetase (EC 6.1.1.2) (Tryptophan-tRNA ligase)(TrpRS), Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI, LIGASE
_struct_keywords.pdbx_keywords                       LIGASE
_struct_keywords.entry_id                            2G36
_struct_biol.id                                      1
_struct_biol.details                                 SIZE EXCLUSION CHROMATOGRAPHY WITH STATIC LIGHT
SCATTERING SUPPORTS THE ASSIGNMENT OF A DIMER AS
A BIOLOGICALLY SIGNIFICANT OLIGIMERIZATION 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                                 metalc
_struct_conn_type.criteria                           ?
_struct_conn_type.reference                          ?
_atom_sites.entry_id                                 2G36
_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_and_software_defined_assembly
_pdbx_struct_assembly.method_details                 PISA,PQS
_pdbx_struct_assembly.oligomeric_details             dimeric
_pdbx_struct_assembly.oligomeric_count               2
_pdbx_struct_assembly_gen.assembly_id                1
_pdbx_struct_assembly_gen.oper_expression            1,2
_pdbx_struct_assembly_gen.asym_id_list               A,B,C,D
_pdbx_audit_revision_details.ordinal                 1
_pdbx_audit_revision_details.revision_ordinal        1
_pdbx_audit_revision_details.data_content_type       Structure model
_pdbx_audit_revision_details.provider                repository
_pdbx_audit_revision_details.type                    Initial release
_pdbx_audit_revision_details.description             ?
_pdbx_audit_revision_details.details                 ?
_pdbx_refine_tls_group.refine_tls_id                 _pdbx_refine_tls_group.beg_label_asym_id
_pdbx_refine_tls_group.beg_label_seq_id              _pdbx_refine_tls_group.end_label_asym_id
_pdbx_refine_tls_group.end_label_seq_id              _pdbx_refine_tls_group.selection
_pdbx_refine_tls_group.beg_auth_asym_id              _pdbx_refine_tls_group.beg_auth_seq_id
_pdbx_refine_tls_group.end_auth_asym_id              _pdbx_refine_tls_group.end_auth_seq_id
_pdbx_refine_tls_group.pdbx_refine_id                _pdbx_refine_tls_group.selection_details
_phasing.method                                      MR
_pdbx_database_remark.id                             300
_pdbx_database_remark.text                           BIOMOLECULE: 1 
THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT 
WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR 
INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). 
SIZE EXCLUSION CHROMATOGRAPHY WITH STATIC LIGHT 
SCATTERING SUPPORTS THE ASSIGNMENT OF A DIMER AS 
A BIOLOGICALLY SIGNIFICANT OLIGIMERIZATION STATE.
_pdbx_validate_close_contact.id                      1
_pdbx_validate_close_contact.PDB_model_num           1
_pdbx_validate_close_contact.auth_atom_id_1          OH
_pdbx_validate_close_contact.auth_asym_id_1          A
_pdbx_validate_close_contact.auth_comp_id_1          TYR
_pdbx_validate_close_contact.auth_seq_id_1           129
_pdbx_validate_close_contact.PDB_ins_code_1          ?
_pdbx_validate_close_contact.label_alt_id_1          ?
_pdbx_validate_close_contact.auth_atom_id_2          N
_pdbx_validate_close_contact.auth_asym_id_2          A
_pdbx_validate_close_contact.auth_comp_id_2          TRP
_pdbx_validate_close_contact.auth_seq_id_2           401
_pdbx_validate_close_contact.PDB_ins_code_2          ?
_pdbx_validate_close_contact.label_alt_id_2          ?
_pdbx_validate_close_contact.dist                    2.11
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