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

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

      See the 3d structure with the Ngl button
      
      Raymond
To get a Cif file :    Give a cif entry    or    Get a file from the server Get a file from the server and press    or    Upload your file Upload your file : first then select the server directory and ... current Cif store/synthetases/1LI7.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.status_code
Cif _pdbx_database_status.entry_id
Cif _pdbx_database_status.recvd_initial_deposition_date
Cif _pdbx_database_status.deposit_site
Cif _pdbx_database_status.process_site
Cif _pdbx_database_status.status_code_sf
Cif _pdbx_database_status.status_code_mr
Cif _pdbx_database_status.SG_entry
Cif _pdbx_database_status.pdb_format_compatible
Cif _pdbx_database_status.status_code_cs
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.Z_PDB
Cif _cell.pdbx_unique_axis
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.space_group_name_H-M
Cif _symmetry.pdbx_full_space_group_name_H-M
Cif _symmetry.cell_setting
Cif _symmetry.Int_Tables_number
Cif _symmetry.space_group_name_Hall
Cif _entity_name_com.entity_id
Cif _entity_name_com.name
Cif _entity_name_sys.entity_id
Cif _entity_name_sys.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.entity_id
Cif _struct_ref.db_name
Cif _struct_ref.pdbx_db_accession
Cif _struct_ref.db_code
Cif _struct_ref.pdbx_align_begin
Cif _struct_ref.pdbx_seq_one_letter_code
Cif _struct_ref.pdbx_db_isoform
Cif _exptl.entry_id
Cif _exptl.method
Cif _exptl.crystals_number
Cif _exptl_crystal.id
Cif _exptl_crystal.density_meas
Cif _exptl_crystal.density_Matthews
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.temp
Cif _exptl_crystal_grow.temp_details
Cif _exptl_crystal_grow.pH
Cif _exptl_crystal_grow.pdbx_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.pdbx_collection_date
Cif _diffrn_detector.details
Cif _diffrn_radiation.diffrn_id
Cif _diffrn_radiation.wavelength_id
Cif _diffrn_radiation.pdbx_monochromatic_or_laue_m_l
Cif _diffrn_radiation.monochromator
Cif _diffrn_radiation.pdbx_diffrn_protocol
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.type
Cif _diffrn_source.pdbx_synchrotron_site
Cif _diffrn_source.pdbx_synchrotron_beamline
Cif _diffrn_source.pdbx_wavelength
Cif _diffrn_source.pdbx_wavelength_list
Cif _reflns.entry_id
Cif _reflns.observed_criterion_sigma_I
Cif _reflns.observed_criterion_sigma_F
Cif _reflns.d_resolution_low
Cif _reflns.d_resolution_high
Cif _reflns.number_obs
Cif _reflns.number_all
Cif _reflns.percent_possible_obs
Cif _reflns.pdbx_Rmerge_I_obs
Cif _reflns.pdbx_Rsym_value
Cif _reflns.pdbx_netI_over_sigmaI
Cif _reflns.B_iso_Wilson_estimate
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_diffrn_id
Cif _reflns.pdbx_ordinal
Cif _reflns_shell.d_res_high
Cif _reflns_shell.d_res_low
Cif _reflns_shell.percent_possible_all
Cif _reflns_shell.Rmerge_I_obs
Cif _reflns_shell.pdbx_Rsym_value
Cif _reflns_shell.meanI_over_sigI_obs
Cif _reflns_shell.pdbx_redundancy
Cif _reflns_shell.percent_possible_obs
Cif _reflns_shell.number_unique_all
Cif _reflns_shell.number_measured_all
Cif _reflns_shell.number_measured_obs
Cif _reflns_shell.number_unique_obs
Cif _reflns_shell.pdbx_chi_squared
Cif _reflns_shell.pdbx_diffrn_id
Cif _reflns_shell.pdbx_ordinal
Cif _refine.entry_id
Cif _refine.ls_number_reflns_obs
Cif _refine.ls_number_reflns_all
Cif _refine.pdbx_ls_sigma_I
Cif _refine.pdbx_ls_sigma_F
Cif _refine.pdbx_data_cutoff_high_absF
Cif _refine.pdbx_data_cutoff_low_absF
Cif _refine.ls_d_res_low
Cif _refine.ls_d_res_high
Cif _refine.ls_percent_reflns_obs
Cif _refine.ls_R_factor_obs
Cif _refine.ls_R_factor_all
Cif _refine.ls_R_factor_R_work
Cif _refine.ls_R_factor_R_free
Cif _refine.ls_R_factor_R_free_error
Cif _refine.ls_R_factor_R_free_error_details
Cif _refine.ls_percent_reflns_R_free
Cif _refine.ls_number_reflns_R_free
Cif _refine.ls_number_parameters
Cif _refine.ls_number_restraints
Cif _refine.occupancy_min
Cif _refine.occupancy_max
Cif _refine.correlation_coeff_Fo_to_Fc
Cif _refine.correlation_coeff_Fo_to_Fc_free
Cif _refine.B_iso_mean
Cif _refine.solvent_model_details
Cif _refine.solvent_model_param_ksol
Cif _refine.solvent_model_param_bsol
Cif _refine.pdbx_solvent_vdw_probe_radii
Cif _refine.pdbx_solvent_ion_probe_radii
Cif _refine.pdbx_solvent_shrinkage_radii
Cif _refine.pdbx_ls_cross_valid_method
Cif _refine.details
Cif _refine.pdbx_starting_model
Cif _refine.pdbx_method_to_determine_struct
Cif _refine.pdbx_isotropic_thermal_model
Cif _refine.pdbx_stereochemistry_target_values
Cif _refine.pdbx_stereochem_target_val_spec_case
Cif _refine.pdbx_R_Free_selection_details
Cif _refine.pdbx_overall_ESU_R_Free
Cif _refine.overall_SU_B
Cif _refine.ls_redundancy_reflns_obs
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.overall_SU_ML
Cif _refine.pdbx_overall_ESU_R
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_diffrn_id
Cif _refine.pdbx_TLS_residual_ADP_flag
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_analyze.entry_id
Cif _refine_analyze.Luzzati_coordinate_error_obs
Cif _refine_analyze.Luzzati_sigma_a_obs
Cif _refine_analyze.Luzzati_d_res_low_obs
Cif _refine_analyze.Luzzati_coordinate_error_free
Cif _refine_analyze.Luzzati_sigma_a_free
Cif _refine_analyze.Luzzati_d_res_low_free
Cif _refine_analyze.number_disordered_residues
Cif _refine_analyze.occupancy_sum_hydrogen
Cif _refine_analyze.occupancy_sum_non_hydrogen
Cif _refine_analyze.pdbx_Luzzati_d_res_high_obs
Cif _refine_analyze.pdbx_refine_id
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.pdbx_total_number_of_bins_used
Cif _refine_ls_shell.d_res_high
Cif _refine_ls_shell.d_res_low
Cif _refine_ls_shell.number_reflns_R_work
Cif _refine_ls_shell.R_factor_R_work
Cif _refine_ls_shell.percent_reflns_obs
Cif _refine_ls_shell.R_factor_R_free
Cif _refine_ls_shell.R_factor_R_free_error
Cif _refine_ls_shell.percent_reflns_R_free
Cif _refine_ls_shell.number_reflns_R_free
Cif _refine_ls_shell.number_reflns_obs
Cif _refine_ls_shell.redundancy_reflns_obs
Cif _refine_ls_shell.number_reflns_all
Cif _refine_ls_shell.R_factor_all
Cif _refine_ls_shell.pdbx_refine_id
Cif _struct.entry_id
Cif _struct.title
Cif _struct.pdbx_descriptor
Cif _struct.pdbx_model_details
Cif _struct.pdbx_CASP_flag
Cif _struct.pdbx_model_type_details
Cif _struct_keywords.entry_id
Cif _struct_keywords.pdbx_keywords
Cif _struct_keywords.text
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 _database_PDB_matrix.entry_id
Cif _atom_sites.entry_id
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_validate_main_chain_plane.id
Cif _pdbx_validate_main_chain_plane.PDB_model_num
Cif _pdbx_validate_main_chain_plane.auth_comp_id
Cif _pdbx_validate_main_chain_plane.auth_asym_id
Cif _pdbx_validate_main_chain_plane.auth_seq_id
Cif _pdbx_validate_main_chain_plane.PDB_ins_code
Cif _pdbx_validate_main_chain_plane.label_alt_id
Cif _pdbx_validate_main_chain_plane.improper_torsion_angle


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
 
1 Cif _audit_author LoopLength = 3
1 Cif _audit_author ListOfLines
1 Cif _audit_author.name
1 Cif _audit_author.pdbx_ordinal
 
2 Cif _citation LoopLength = 2
2 Cif _citation ListOfLines
2 Cif _citation.id
2 Cif _citation.title
2 Cif _citation.journal_abbrev
2 Cif _citation.journal_volume
2 Cif _citation.page_first
2 Cif _citation.page_last
2 Cif _citation.year
2 Cif _citation.journal_id_ASTM
2 Cif _citation.country
2 Cif _citation.journal_id_ISSN
2 Cif _citation.journal_id_CSD
2 Cif _citation.book_publisher
2 Cif _citation.pdbx_database_id_PubMed
2 Cif _citation.pdbx_database_id_DOI
 
3 Cif _citation_author LoopLength = 7
3 Cif _citation_author ListOfLines
3 Cif _citation_author.citation_id
3 Cif _citation_author.name
3 Cif _citation_author.ordinal
 
4 Cif _entity LoopLength = 4
4 Cif _entity ListOfLines
4 Cif _entity.id
4 Cif _entity.type
4 Cif _entity.src_method
4 Cif _entity.pdbx_description
4 Cif _entity.formula_weight
4 Cif _entity.pdbx_number_of_molecules
4 Cif _entity.pdbx_ec
4 Cif _entity.pdbx_mutation
4 Cif _entity.pdbx_fragment
4 Cif _entity.details
 
5 Cif _entity_poly_seq LoopLength = 461
5 Cif _entity_poly_seq ListOfLines
5 Cif _entity_poly_seq.entity_id
5 Cif _entity_poly_seq.num
5 Cif _entity_poly_seq.mon_id
5 Cif _entity_poly_seq.hetero
 
6 Cif _struct_ref_seq LoopLength = 2
6 Cif _struct_ref_seq ListOfLines
6 Cif _struct_ref_seq.align_id
6 Cif _struct_ref_seq.ref_id
6 Cif _struct_ref_seq.pdbx_PDB_id_code
6 Cif _struct_ref_seq.pdbx_strand_id
6 Cif _struct_ref_seq.seq_align_beg
6 Cif _struct_ref_seq.pdbx_seq_align_beg_ins_code
6 Cif _struct_ref_seq.seq_align_end
6 Cif _struct_ref_seq.pdbx_seq_align_end_ins_code
6 Cif _struct_ref_seq.pdbx_db_accession
6 Cif _struct_ref_seq.db_align_beg
6 Cif _struct_ref_seq.pdbx_db_align_beg_ins_code
6 Cif _struct_ref_seq.db_align_end
6 Cif _struct_ref_seq.pdbx_db_align_end_ins_code
6 Cif _struct_ref_seq.pdbx_auth_seq_align_beg
6 Cif _struct_ref_seq.pdbx_auth_seq_align_end
 
7 Cif _chem_comp LoopLength = 22
7 Cif _chem_comp ListOfLines
7 Cif _chem_comp.id
7 Cif _chem_comp.type
7 Cif _chem_comp.mon_nstd_flag
7 Cif _chem_comp.name
7 Cif _chem_comp.pdbx_synonyms
7 Cif _chem_comp.formula
7 Cif _chem_comp.formula_weight
 
8 Cif _refine_ls_restr LoopLength = 8
8 Cif _refine_ls_restr ListOfLines
8 Cif _refine_ls_restr.type
8 Cif _refine_ls_restr.dev_ideal
8 Cif _refine_ls_restr.dev_ideal_target
8 Cif _refine_ls_restr.weight
8 Cif _refine_ls_restr.number
8 Cif _refine_ls_restr.pdbx_refine_id
8 Cif _refine_ls_restr.pdbx_restraint_function
 
9 Cif _pdbx_xplor_file LoopLength = 4
9 Cif _pdbx_xplor_file ListOfLines
9 Cif _pdbx_xplor_file.serial_no
9 Cif _pdbx_xplor_file.param_file
9 Cif _pdbx_xplor_file.topol_file
9 Cif _pdbx_xplor_file.pdbx_refine_id
 
10 Cif _struct_asym LoopLength = 8
10 Cif _struct_asym ListOfLines
10 Cif _struct_asym.id
10 Cif _struct_asym.pdbx_blank_PDB_chainid_flag
10 Cif _struct_asym.pdbx_modified
10 Cif _struct_asym.entity_id
10 Cif _struct_asym.details
 
11 Cif _struct_biol LoopLength = 2
11 Cif _struct_biol ListOfLines
11 Cif _struct_biol.id
11 Cif _struct_biol.details
11 Cif _struct_biol.pdbx_parent_biol_id
 
12 Cif _struct_conf LoopLength = 32
12 Cif _struct_conf ListOfLines
12 Cif _struct_conf.conf_type_id
12 Cif _struct_conf.id
12 Cif _struct_conf.pdbx_PDB_helix_id
12 Cif _struct_conf.beg_label_comp_id
12 Cif _struct_conf.beg_label_asym_id
12 Cif _struct_conf.beg_label_seq_id
12 Cif _struct_conf.pdbx_beg_PDB_ins_code
12 Cif _struct_conf.end_label_comp_id
12 Cif _struct_conf.end_label_asym_id
12 Cif _struct_conf.end_label_seq_id
12 Cif _struct_conf.pdbx_end_PDB_ins_code
12 Cif _struct_conf.beg_auth_comp_id
12 Cif _struct_conf.beg_auth_asym_id
12 Cif _struct_conf.beg_auth_seq_id
12 Cif _struct_conf.end_auth_comp_id
12 Cif _struct_conf.end_auth_asym_id
12 Cif _struct_conf.end_auth_seq_id
12 Cif _struct_conf.pdbx_PDB_helix_class
12 Cif _struct_conf.details
12 Cif _struct_conf.pdbx_PDB_helix_length
 
13 Cif _struct_conn LoopLength = 9
13 Cif _struct_conn ListOfLines
13 Cif _struct_conn.id
13 Cif _struct_conn.conn_type_id
13 Cif _struct_conn.pdbx_leaving_atom_flag
13 Cif _struct_conn.pdbx_PDB_id
13 Cif _struct_conn.ptnr1_label_asym_id
13 Cif _struct_conn.ptnr1_label_comp_id
13 Cif _struct_conn.ptnr1_label_seq_id
13 Cif _struct_conn.ptnr1_label_atom_id
13 Cif _struct_conn.pdbx_ptnr1_label_alt_id
13 Cif _struct_conn.pdbx_ptnr1_PDB_ins_code
13 Cif _struct_conn.pdbx_ptnr1_standard_comp_id
13 Cif _struct_conn.ptnr1_symmetry
13 Cif _struct_conn.ptnr2_label_asym_id
13 Cif _struct_conn.ptnr2_label_comp_id
13 Cif _struct_conn.ptnr2_label_seq_id
13 Cif _struct_conn.ptnr2_label_atom_id
13 Cif _struct_conn.pdbx_ptnr2_label_alt_id
13 Cif _struct_conn.pdbx_ptnr2_PDB_ins_code
13 Cif _struct_conn.ptnr1_auth_asym_id
13 Cif _struct_conn.ptnr1_auth_comp_id
13 Cif _struct_conn.ptnr1_auth_seq_id
13 Cif _struct_conn.ptnr2_auth_asym_id
13 Cif _struct_conn.ptnr2_auth_comp_id
13 Cif _struct_conn.ptnr2_auth_seq_id
13 Cif _struct_conn.ptnr2_symmetry
13 Cif _struct_conn.pdbx_ptnr3_label_atom_id
13 Cif _struct_conn.pdbx_ptnr3_label_seq_id
13 Cif _struct_conn.pdbx_ptnr3_label_comp_id
13 Cif _struct_conn.pdbx_ptnr3_label_asym_id
13 Cif _struct_conn.pdbx_ptnr3_label_alt_id
13 Cif _struct_conn.pdbx_ptnr3_PDB_ins_code
13 Cif _struct_conn.details
13 Cif _struct_conn.pdbx_dist_value
13 Cif _struct_conn.pdbx_value_order
 
14 Cif _struct_sheet LoopLength = 8
14 Cif _struct_sheet ListOfLines
14 Cif _struct_sheet.id
14 Cif _struct_sheet.type
14 Cif _struct_sheet.number_strands
14 Cif _struct_sheet.details
 
15 Cif _struct_sheet_order LoopLength = 16
15 Cif _struct_sheet_order ListOfLines
15 Cif _struct_sheet_order.sheet_id
15 Cif _struct_sheet_order.range_id_1
15 Cif _struct_sheet_order.range_id_2
15 Cif _struct_sheet_order.offset
15 Cif _struct_sheet_order.sense
 
16 Cif _struct_sheet_range LoopLength = 24
16 Cif _struct_sheet_range ListOfLines
16 Cif _struct_sheet_range.sheet_id
16 Cif _struct_sheet_range.id
16 Cif _struct_sheet_range.beg_label_comp_id
16 Cif _struct_sheet_range.beg_label_asym_id
16 Cif _struct_sheet_range.beg_label_seq_id
16 Cif _struct_sheet_range.pdbx_beg_PDB_ins_code
16 Cif _struct_sheet_range.end_label_comp_id
16 Cif _struct_sheet_range.end_label_asym_id
16 Cif _struct_sheet_range.end_label_seq_id
16 Cif _struct_sheet_range.pdbx_end_PDB_ins_code
16 Cif _struct_sheet_range.beg_auth_comp_id
16 Cif _struct_sheet_range.beg_auth_asym_id
16 Cif _struct_sheet_range.beg_auth_seq_id
16 Cif _struct_sheet_range.end_auth_comp_id
16 Cif _struct_sheet_range.end_auth_asym_id
16 Cif _struct_sheet_range.end_auth_seq_id
 
17 Cif _pdbx_struct_sheet_hbond LoopLength = 16
17 Cif _pdbx_struct_sheet_hbond ListOfLines
17 Cif _pdbx_struct_sheet_hbond.sheet_id
17 Cif _pdbx_struct_sheet_hbond.range_id_1
17 Cif _pdbx_struct_sheet_hbond.range_id_2
17 Cif _pdbx_struct_sheet_hbond.range_1_label_atom_id
17 Cif _pdbx_struct_sheet_hbond.range_1_label_comp_id
17 Cif _pdbx_struct_sheet_hbond.range_1_label_asym_id
17 Cif _pdbx_struct_sheet_hbond.range_1_label_seq_id
17 Cif _pdbx_struct_sheet_hbond.range_1_PDB_ins_code
17 Cif _pdbx_struct_sheet_hbond.range_1_auth_atom_id
17 Cif _pdbx_struct_sheet_hbond.range_1_auth_comp_id
17 Cif _pdbx_struct_sheet_hbond.range_1_auth_asym_id
17 Cif _pdbx_struct_sheet_hbond.range_1_auth_seq_id
17 Cif _pdbx_struct_sheet_hbond.range_2_label_atom_id
17 Cif _pdbx_struct_sheet_hbond.range_2_label_comp_id
17 Cif _pdbx_struct_sheet_hbond.range_2_label_asym_id
17 Cif _pdbx_struct_sheet_hbond.range_2_label_seq_id
17 Cif _pdbx_struct_sheet_hbond.range_2_PDB_ins_code
17 Cif _pdbx_struct_sheet_hbond.range_2_auth_atom_id
17 Cif _pdbx_struct_sheet_hbond.range_2_auth_comp_id
17 Cif _pdbx_struct_sheet_hbond.range_2_auth_asym_id
17 Cif _pdbx_struct_sheet_hbond.range_2_auth_seq_id
 
18 Cif _struct_site LoopLength = 4
18 Cif _struct_site ListOfLines
18 Cif _struct_site.id
18 Cif _struct_site.pdbx_evidence_code
18 Cif _struct_site.pdbx_auth_asym_id
18 Cif _struct_site.pdbx_auth_comp_id
18 Cif _struct_site.pdbx_auth_seq_id
18 Cif _struct_site.pdbx_auth_ins_code
18 Cif _struct_site.pdbx_num_residues
18 Cif _struct_site.details
 
19 Cif _struct_site_gen LoopLength = 29
19 Cif _struct_site_gen ListOfLines
19 Cif _struct_site_gen.id
19 Cif _struct_site_gen.site_id
19 Cif _struct_site_gen.pdbx_num_res
19 Cif _struct_site_gen.label_comp_id
19 Cif _struct_site_gen.label_asym_id
19 Cif _struct_site_gen.label_seq_id
19 Cif _struct_site_gen.pdbx_auth_ins_code
19 Cif _struct_site_gen.auth_comp_id
19 Cif _struct_site_gen.auth_asym_id
19 Cif _struct_site_gen.auth_seq_id
19 Cif _struct_site_gen.label_atom_id
19 Cif _struct_site_gen.label_alt_id
19 Cif _struct_site_gen.symmetry
19 Cif _struct_site_gen.details
 
20 Cif _atom_type LoopLength = 5
20 Cif _atom_type ListOfLines
20 Cif _atom_type.symbol
 
21 Cif _atom_site LoopLength = 5827
21 Cif _atom_site ListOfLines
21 Cif _atom_site.group_PDB
21 Cif _atom_site.id
21 Cif _atom_site.type_symbol
21 Cif _atom_site.label_atom_id
21 Cif _atom_site.label_alt_id
21 Cif _atom_site.label_comp_id
21 Cif _atom_site.label_asym_id
21 Cif _atom_site.label_entity_id
21 Cif _atom_site.label_seq_id
21 Cif _atom_site.pdbx_PDB_ins_code
21 Cif _atom_site.Cartn_x
21 Cif _atom_site.Cartn_y
21 Cif _atom_site.Cartn_z
21 Cif _atom_site.occupancy
21 Cif _atom_site.B_iso_or_equiv
21 Cif _atom_site.pdbx_formal_charge
21 Cif _atom_site.auth_seq_id
21 Cif _atom_site.auth_comp_id
21 Cif _atom_site.auth_asym_id
21 Cif _atom_site.auth_atom_id
21 Cif _atom_site.pdbx_PDB_model_num
 
22 Cif _pdbx_poly_seq_scheme LoopLength = 922
22 Cif _pdbx_poly_seq_scheme ListOfLines
22 Cif _pdbx_poly_seq_scheme.asym_id
22 Cif _pdbx_poly_seq_scheme.entity_id
22 Cif _pdbx_poly_seq_scheme.seq_id
22 Cif _pdbx_poly_seq_scheme.mon_id
22 Cif _pdbx_poly_seq_scheme.ndb_seq_num
22 Cif _pdbx_poly_seq_scheme.pdb_seq_num
22 Cif _pdbx_poly_seq_scheme.auth_seq_num
22 Cif _pdbx_poly_seq_scheme.pdb_mon_id
22 Cif _pdbx_poly_seq_scheme.auth_mon_id
22 Cif _pdbx_poly_seq_scheme.pdb_strand_id
22 Cif _pdbx_poly_seq_scheme.pdb_ins_code
22 Cif _pdbx_poly_seq_scheme.hetero
 
23 Cif _pdbx_struct_assembly LoopLength = 2
23 Cif _pdbx_struct_assembly ListOfLines
23 Cif _pdbx_struct_assembly.id
23 Cif _pdbx_struct_assembly.details
23 Cif _pdbx_struct_assembly.method_details
23 Cif _pdbx_struct_assembly.oligomeric_details
23 Cif _pdbx_struct_assembly.oligomeric_count
 
24 Cif _pdbx_struct_assembly_gen LoopLength = 2
24 Cif _pdbx_struct_assembly_gen ListOfLines
24 Cif _pdbx_struct_assembly_gen.assembly_id
24 Cif _pdbx_struct_assembly_gen.oper_expression
24 Cif _pdbx_struct_assembly_gen.asym_id_list
 
25 Cif _pdbx_struct_conn_angle LoopLength = 16
25 Cif _pdbx_struct_conn_angle ListOfLines
25 Cif _pdbx_struct_conn_angle.id
25 Cif _pdbx_struct_conn_angle.ptnr1_label_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr1_label_alt_id
25 Cif _pdbx_struct_conn_angle.ptnr1_label_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr1_label_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr1_label_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr1_auth_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr1_auth_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr1_auth_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr1_auth_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr1_PDB_ins_code
25 Cif _pdbx_struct_conn_angle.ptnr1_symmetry
25 Cif _pdbx_struct_conn_angle.ptnr2_label_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr2_label_alt_id
25 Cif _pdbx_struct_conn_angle.ptnr2_label_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr2_label_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr2_label_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr2_auth_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr2_auth_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr2_auth_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr2_auth_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr2_PDB_ins_code
25 Cif _pdbx_struct_conn_angle.ptnr2_symmetry
25 Cif _pdbx_struct_conn_angle.ptnr3_label_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr3_label_alt_id
25 Cif _pdbx_struct_conn_angle.ptnr3_label_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr3_label_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr3_label_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr3_auth_atom_id
25 Cif _pdbx_struct_conn_angle.ptnr3_auth_asym_id
25 Cif _pdbx_struct_conn_angle.ptnr3_auth_comp_id
25 Cif _pdbx_struct_conn_angle.ptnr3_auth_seq_id
25 Cif _pdbx_struct_conn_angle.ptnr3_PDB_ins_code
25 Cif _pdbx_struct_conn_angle.ptnr3_symmetry
25 Cif _pdbx_struct_conn_angle.value
25 Cif _pdbx_struct_conn_angle.value_esd
 
26 Cif _pdbx_audit_revision_history LoopLength = 3
26 Cif _pdbx_audit_revision_history ListOfLines
26 Cif _pdbx_audit_revision_history.ordinal
26 Cif _pdbx_audit_revision_history.data_content_type
26 Cif _pdbx_audit_revision_history.major_revision
26 Cif _pdbx_audit_revision_history.minor_revision
26 Cif _pdbx_audit_revision_history.revision_date
 
27 Cif _pdbx_audit_revision_group LoopLength = 2
27 Cif _pdbx_audit_revision_group ListOfLines
27 Cif _pdbx_audit_revision_group.ordinal
27 Cif _pdbx_audit_revision_group.revision_ordinal
27 Cif _pdbx_audit_revision_group.data_content_type
27 Cif _pdbx_audit_revision_group.group
 
28 Cif _software LoopLength = 5
28 Cif _software ListOfLines
28 Cif _software.name
28 Cif _software.classification
28 Cif _software.version
28 Cif _software.citation_id
28 Cif _software.pdbx_ordinal
 
29 Cif _pdbx_validate_close_contact LoopLength = 2
29 Cif _pdbx_validate_close_contact ListOfLines
29 Cif _pdbx_validate_close_contact.id
29 Cif _pdbx_validate_close_contact.PDB_model_num
29 Cif _pdbx_validate_close_contact.auth_atom_id_1
29 Cif _pdbx_validate_close_contact.auth_asym_id_1
29 Cif _pdbx_validate_close_contact.auth_comp_id_1
29 Cif _pdbx_validate_close_contact.auth_seq_id_1
29 Cif _pdbx_validate_close_contact.PDB_ins_code_1
29 Cif _pdbx_validate_close_contact.label_alt_id_1
29 Cif _pdbx_validate_close_contact.auth_atom_id_2
29 Cif _pdbx_validate_close_contact.auth_asym_id_2
29 Cif _pdbx_validate_close_contact.auth_comp_id_2
29 Cif _pdbx_validate_close_contact.auth_seq_id_2
29 Cif _pdbx_validate_close_contact.PDB_ins_code_2
29 Cif _pdbx_validate_close_contact.label_alt_id_2
29 Cif _pdbx_validate_close_contact.dist
 
30 Cif _pdbx_validate_rmsd_bond LoopLength = 2
30 Cif _pdbx_validate_rmsd_bond ListOfLines
30 Cif _pdbx_validate_rmsd_bond.id
30 Cif _pdbx_validate_rmsd_bond.PDB_model_num
30 Cif _pdbx_validate_rmsd_bond.auth_atom_id_1
30 Cif _pdbx_validate_rmsd_bond.auth_asym_id_1
30 Cif _pdbx_validate_rmsd_bond.auth_comp_id_1
30 Cif _pdbx_validate_rmsd_bond.auth_seq_id_1
30 Cif _pdbx_validate_rmsd_bond.PDB_ins_code_1
30 Cif _pdbx_validate_rmsd_bond.label_alt_id_1
30 Cif _pdbx_validate_rmsd_bond.auth_atom_id_2
30 Cif _pdbx_validate_rmsd_bond.auth_asym_id_2
30 Cif _pdbx_validate_rmsd_bond.auth_comp_id_2
30 Cif _pdbx_validate_rmsd_bond.auth_seq_id_2
30 Cif _pdbx_validate_rmsd_bond.PDB_ins_code_2
30 Cif _pdbx_validate_rmsd_bond.label_alt_id_2
30 Cif _pdbx_validate_rmsd_bond.bond_value
30 Cif _pdbx_validate_rmsd_bond.bond_target_value
30 Cif _pdbx_validate_rmsd_bond.bond_deviation
30 Cif _pdbx_validate_rmsd_bond.bond_standard_deviation
30 Cif _pdbx_validate_rmsd_bond.linker_flag
 
31 Cif _pdbx_validate_rmsd_angle LoopLength = 18
31 Cif _pdbx_validate_rmsd_angle ListOfLines
31 Cif _pdbx_validate_rmsd_angle.id
31 Cif _pdbx_validate_rmsd_angle.PDB_model_num
31 Cif _pdbx_validate_rmsd_angle.auth_atom_id_1
31 Cif _pdbx_validate_rmsd_angle.auth_asym_id_1
31 Cif _pdbx_validate_rmsd_angle.auth_comp_id_1
31 Cif _pdbx_validate_rmsd_angle.auth_seq_id_1
31 Cif _pdbx_validate_rmsd_angle.PDB_ins_code_1
31 Cif _pdbx_validate_rmsd_angle.label_alt_id_1
31 Cif _pdbx_validate_rmsd_angle.auth_atom_id_2
31 Cif _pdbx_validate_rmsd_angle.auth_asym_id_2
31 Cif _pdbx_validate_rmsd_angle.auth_comp_id_2
31 Cif _pdbx_validate_rmsd_angle.auth_seq_id_2
31 Cif _pdbx_validate_rmsd_angle.PDB_ins_code_2
31 Cif _pdbx_validate_rmsd_angle.label_alt_id_2
31 Cif _pdbx_validate_rmsd_angle.auth_atom_id_3
31 Cif _pdbx_validate_rmsd_angle.auth_asym_id_3
31 Cif _pdbx_validate_rmsd_angle.auth_comp_id_3
31 Cif _pdbx_validate_rmsd_angle.auth_seq_id_3
31 Cif _pdbx_validate_rmsd_angle.PDB_ins_code_3
31 Cif _pdbx_validate_rmsd_angle.label_alt_id_3
31 Cif _pdbx_validate_rmsd_angle.angle_value
31 Cif _pdbx_validate_rmsd_angle.angle_target_value
31 Cif _pdbx_validate_rmsd_angle.angle_deviation
31 Cif _pdbx_validate_rmsd_angle.angle_standard_deviation
31 Cif _pdbx_validate_rmsd_angle.linker_flag
 
32 Cif _pdbx_validate_torsion LoopLength = 32
32 Cif _pdbx_validate_torsion ListOfLines
32 Cif _pdbx_validate_torsion.id
32 Cif _pdbx_validate_torsion.PDB_model_num
32 Cif _pdbx_validate_torsion.auth_comp_id
32 Cif _pdbx_validate_torsion.auth_asym_id
32 Cif _pdbx_validate_torsion.auth_seq_id
32 Cif _pdbx_validate_torsion.PDB_ins_code
32 Cif _pdbx_validate_torsion.label_alt_id
32 Cif _pdbx_validate_torsion.phi
32 Cif _pdbx_validate_torsion.psi
 
33 Cif _pdbx_unobs_or_zero_occ_atoms LoopLength = 360
33 Cif _pdbx_unobs_or_zero_occ_atoms ListOfLines
33 Cif _pdbx_unobs_or_zero_occ_atoms.id
33 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
33 Cif _pdbx_unobs_or_zero_occ_atoms.polymer_flag
33 Cif _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
33 Cif _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.label_alt_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.label_asym_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.label_comp_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.label_seq_id
33 Cif _pdbx_unobs_or_zero_occ_atoms.label_atom_id
 
34 Cif _pdbx_unobs_or_zero_occ_residues LoopLength = 161
34 Cif _pdbx_unobs_or_zero_occ_residues ListOfLines
34 Cif _pdbx_unobs_or_zero_occ_residues.id
34 Cif _pdbx_unobs_or_zero_occ_residues.PDB_model_num
34 Cif _pdbx_unobs_or_zero_occ_residues.polymer_flag
34 Cif _pdbx_unobs_or_zero_occ_residues.occupancy_flag
34 Cif _pdbx_unobs_or_zero_occ_residues.auth_asym_id
34 Cif _pdbx_unobs_or_zero_occ_residues.auth_comp_id
34 Cif _pdbx_unobs_or_zero_occ_residues.auth_seq_id
34 Cif _pdbx_unobs_or_zero_occ_residues.PDB_ins_code
34 Cif _pdbx_unobs_or_zero_occ_residues.label_asym_id
34 Cif _pdbx_unobs_or_zero_occ_residues.label_comp_id
34 Cif _pdbx_unobs_or_zero_occ_residues.label_seq_id
 
35 Cif _pdbx_entity_nonpoly LoopLength = 3
35 Cif _pdbx_entity_nonpoly ListOfLines
35 Cif _pdbx_entity_nonpoly.entity_id
35 Cif _pdbx_entity_nonpoly.name
35 Cif _pdbx_entity_nonpoly.comp_id
 
36 Cif _pdbx_nonpoly_scheme LoopLength = 75
36 Cif _pdbx_nonpoly_scheme ListOfLines
36 Cif _pdbx_nonpoly_scheme.asym_id
36 Cif _pdbx_nonpoly_scheme.entity_id
36 Cif _pdbx_nonpoly_scheme.mon_id
36 Cif _pdbx_nonpoly_scheme.ndb_seq_num
36 Cif _pdbx_nonpoly_scheme.pdb_seq_num
36 Cif _pdbx_nonpoly_scheme.auth_seq_num
36 Cif _pdbx_nonpoly_scheme.pdb_mon_id
36 Cif _pdbx_nonpoly_scheme.auth_mon_id
36 Cif _pdbx_nonpoly_scheme.pdb_strand_id
36 Cif _pdbx_nonpoly_scheme.pdb_ins_code




store/synthetases/1LI7.cif  Crystal Structure of Cysteinyl-tRNA Synthetase with Cysteine Substrate Bound

About organisms
entity	1	gene_src_taxid	562	gene_src_Name	Escherichia coli	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 CYSTEINYL-TRNA
B	B	1 polymer man CYSTEINYL-TRNA
C	A	2 non-polymer syn ZINC
D	A	3 non-polymer syn CYSTEINE
E	B	2 non-polymer syn ZINC
F	B	3 non-polymer syn CYSTEINE
G	A	4 water nat water
H	B	4 water nat water

ValuesOf SimpleKeys
_entry.id                                            1LI7
_audit_conform.dict_name                             mmcif_pdbx.dic
_audit_conform.dict_version                          5.281
_audit_conform.dict_location                         http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
_pdbx_database_related.db_name                       PDB
_pdbx_database_related.db_id                         1LI5
_pdbx_database_related.details                       Unliganded Structure of CysRS
_pdbx_database_related.content_type                  unspecified
_pdbx_database_status.status_code                    REL
_pdbx_database_status.entry_id                       1LI7
_pdbx_database_status.recvd_initial_deposition_date  2002-04-17
_pdbx_database_status.deposit_site                   RCSB
_pdbx_database_status.process_site                   RCSB
_pdbx_database_status.status_code_sf                 REL
_pdbx_database_status.status_code_mr                 ?
_pdbx_database_status.SG_entry                       N
_pdbx_database_status.pdb_format_compatible          Y
_pdbx_database_status.status_code_cs                 ?
_cell.entry_id                                       1LI7
_cell.length_a                                       118.980
_cell.length_b                                       118.980
_cell.length_c                                       143.840
_cell.angle_alpha                                    90.00
_cell.angle_beta                                     90.00
_cell.angle_gamma                                    90.00
_cell.Z_PDB                                          16
_cell.pdbx_unique_axis                               ?
_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                                   1LI7
_symmetry.space_group_name_H-M                       P 41 21 2
_symmetry.pdbx_full_space_group_name_H-M             ?
_symmetry.cell_setting                               tetragonal
_symmetry.Int_Tables_number                          92
_symmetry.space_group_name_Hall                      ?
_entity_name_com.entity_id                           1
_entity_name_com.name                                Cysteine--tRNA ligase; CysRS; transfer RNA-Cys synthetase
_entity_name_sys.entity_id                           1
_entity_name_sys.name                                E.C.6.1.1.16
_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                MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVVARYLRFLGYKLKYVRNITDIDDKIIKRANE
NGESFVAMVDRMIAEMHKDFDALNILRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVLSRQDL
DQLQAGARVDVVDDKRNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFDIHGGGSDLMFPHHENEIA
QSTCAHDGQYVNYWMHSGMVMVDREKMSKSLGNFFTVRDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLY
TALRGTDKTVAPAGGEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAEDMAAANAMASHLRKLSAVLGLLEQEPEA
FLQSGAQADDSEVAEIEALIQQRLDARKAKDWAAADAARDRLNEMGIVLEDGPQGTTWRRK
_entity_poly.pdbx_seq_one_letter_code_can            MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVVARYLRFLGYKLKYVRNITDIDDKIIKRANE
NGESFVAMVDRMIAEMHKDFDALNILRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVLSRQDL
DQLQAGARVDVVDDKRNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFDIHGGGSDLMFPHHENEIA
QSTCAHDGQYVNYWMHSGMVMVDREKMSKSLGNFFTVRDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLY
TALRGTDKTVAPAGGEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAEDMAAANAMASHLRKLSAVLGLLEQEPEA
FLQSGAQADDSEVAEIEALIQQRLDARKAKDWAAADAARDRLNEMGIVLEDGPQGTTWRRK
_entity_poly.pdbx_strand_id                          A,B
_entity_poly.pdbx_target_identifier                  ?
_entity_src_gen.entity_id                            1
_entity_src_gen.pdbx_src_id                          1
_entity_src_gen.pdbx_alt_source_flag                 sample
_entity_src_gen.pdbx_seq_type                        ?
_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                       Escherichia
_entity_src_gen.pdbx_gene_src_gene                   ?
_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        Escherichia coli
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id       562
_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.entity_id                                1
_struct_ref.db_name                                  UNP
_struct_ref.pdbx_db_accession                        P21888
_struct_ref.db_code                                  SYC_ECOLI
_struct_ref.pdbx_align_begin                         1
_struct_ref.pdbx_seq_one_letter_code                 MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVVARYLRFLGYKLKYVRNITDIDDKIIKRANE
NGESFVAMVDRMIAEMHKDFDALNILRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVLSRQDL
DQLQAGARVDVVDDKRNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFDIHGGGSDLMFPHHENEIA
QSTCAHDGQYVNYWMHSGMVMVDREKMSKSLGNFFTVRDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLY
TALRGTDKTVAPAGGEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAEDMAAANAMASHLRKLSAVLGLLEQEPEA
FLQSGAQADDSEVAEIEALIQQRLDARKAKDWAAADAARDRLNEMGIVLEDGPQGTTWRRK
_struct_ref.pdbx_db_isoform                          ?
_exptl.entry_id                                      1LI7
_exptl.method                                        X-RAY DIFFRACTION
_exptl.crystals_number                               1
_exptl_crystal.id                                    1
_exptl_crystal.density_meas                          ?
_exptl_crystal.density_Matthews                      2.43
_exptl_crystal.density_percent_sol                   47
_exptl_crystal.description                           ?
_exptl_crystal.F_000                                 ?
_exptl_crystal.preparation                           ?
_exptl_crystal_grow.crystal_id                       1
_exptl_crystal_grow.method                           VAPOR DIFFUSION, HANGING DROP
_exptl_crystal_grow.temp                             290
_exptl_crystal_grow.temp_details                     ?
_exptl_crystal_grow.pH                               6.5
_exptl_crystal_grow.pdbx_details                     16% PEG 8000, 200 MM magnesium acetate, 1MM DTT, cacodylate, 5MM ATP, 10MM cysteine. 
100 MM BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 290K
_exptl_crystal_grow.pdbx_pH_range                    .
_diffrn.id                                           1
_diffrn.ambient_temp                                 100.0
_diffrn.ambient_temp_details                         ?
_diffrn.crystal_id                                   1
_diffrn_detector.diffrn_id                           1
_diffrn_detector.detector                            CCD
_diffrn_detector.type                                CUSTOM-MADE
_diffrn_detector.pdbx_collection_date                2001-09-06
_diffrn_detector.details                             ?
_diffrn_radiation.diffrn_id                          1
_diffrn_radiation.wavelength_id                      1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l     M
_diffrn_radiation.monochromator                      DOUBLE CRYSTAL MONOCHROMATOR
_diffrn_radiation.pdbx_diffrn_protocol               SINGLE WAVELENGTH
_diffrn_radiation.pdbx_scattering_type               x-ray
_diffrn_radiation_wavelength.id                      1
_diffrn_radiation_wavelength.wavelength              0.9800
_diffrn_radiation_wavelength.wt                      1.0
_diffrn_source.diffrn_id                             1
_diffrn_source.source                                SYNCHROTRON
_diffrn_source.type                                  NSLS BEAMLINE X12C
_diffrn_source.pdbx_synchrotron_site                 NSLS
_diffrn_source.pdbx_synchrotron_beamline             X12C
_diffrn_source.pdbx_wavelength                       0.9800
_diffrn_source.pdbx_wavelength_list                  0.9800
_reflns.entry_id                                     1LI7
_reflns.observed_criterion_sigma_I                   0.000
_reflns.observed_criterion_sigma_F                   0.000
_reflns.d_resolution_low                             55.00
_reflns.d_resolution_high                            2.600
_reflns.number_obs                                   32373
_reflns.number_all                                   32383
_reflns.percent_possible_obs                         100.0
_reflns.pdbx_Rmerge_I_obs                            0.091
_reflns.pdbx_Rsym_value                              ?
_reflns.pdbx_netI_over_sigmaI                        15.6
_reflns.B_iso_Wilson_estimate                        41.6
_reflns.pdbx_redundancy                              8.000
_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_diffrn_id                               1
_reflns.pdbx_ordinal                                 1
_reflns_shell.d_res_high                             2.60
_reflns_shell.d_res_low                              2.74
_reflns_shell.percent_possible_all                   100.0
_reflns_shell.Rmerge_I_obs                           0.52
_reflns_shell.pdbx_Rsym_value                        ?
_reflns_shell.meanI_over_sigI_obs                    4.10
_reflns_shell.pdbx_redundancy                        8.1
_reflns_shell.percent_possible_obs                   ?
_reflns_shell.number_unique_all                      4634
_reflns_shell.number_measured_all                    ?
_reflns_shell.number_measured_obs                    ?
_reflns_shell.number_unique_obs                      ?
_reflns_shell.pdbx_chi_squared                       ?
_reflns_shell.pdbx_diffrn_id                         ?
_reflns_shell.pdbx_ordinal                           1
_refine.entry_id                                     1LI7
_refine.ls_number_reflns_obs                         32373
_refine.ls_number_reflns_all                         32383
_refine.pdbx_ls_sigma_I                              ?
_refine.pdbx_ls_sigma_F                              0.0
_refine.pdbx_data_cutoff_high_absF                   2482879.95
_refine.pdbx_data_cutoff_low_absF                    0.000000
_refine.ls_d_res_low                                 19.95
_refine.ls_d_res_high                                2.60
_refine.ls_percent_reflns_obs                        99.9
_refine.ls_R_factor_obs                              0.251
_refine.ls_R_factor_all                              0.251
_refine.ls_R_factor_R_work                           0.25
_refine.ls_R_factor_R_free                           0.29
_refine.ls_R_factor_R_free_error                     0.005
_refine.ls_R_factor_R_free_error_details             ?
_refine.ls_percent_reflns_R_free                     10.0
_refine.ls_number_reflns_R_free                      3231
_refine.ls_number_parameters                         ?
_refine.ls_number_restraints                         ?
_refine.occupancy_min                                ?
_refine.occupancy_max                                ?
_refine.correlation_coeff_Fo_to_Fc                   ?
_refine.correlation_coeff_Fo_to_Fc_free              ?
_refine.B_iso_mean                                   40.2
_refine.solvent_model_details                        FLAT MODEL
_refine.solvent_model_param_ksol                     0.317251
_refine.solvent_model_param_bsol                     30.4565
_refine.pdbx_solvent_vdw_probe_radii                 ?
_refine.pdbx_solvent_ion_probe_radii                 ?
_refine.pdbx_solvent_shrinkage_radii                 ?
_refine.pdbx_ls_cross_valid_method                   THROUGHOUT
_refine.details                                      ?
_refine.pdbx_starting_model                          PDB ENTRY 1LI5
_refine.pdbx_method_to_determine_struct              FOURIER SYNTHESIS
_refine.pdbx_isotropic_thermal_model                 RESTRAINED
_refine.pdbx_stereochemistry_target_values           Engh & Huber
_refine.pdbx_stereochem_target_val_spec_case         ?
_refine.pdbx_R_Free_selection_details                RANDOM
_refine.pdbx_overall_ESU_R_Free                      ?
_refine.overall_SU_B                                 ?
_refine.ls_redundancy_reflns_obs                     ?
_refine.B_iso_min                                    ?
_refine.B_iso_max                                    ?
_refine.overall_SU_R_Cruickshank_DPI                 ?
_refine.overall_SU_R_free                            ?
_refine.overall_SU_ML                                ?
_refine.pdbx_overall_ESU_R                           ?
_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_diffrn_id                               1
_refine.pdbx_TLS_residual_ADP_flag                   ?
_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_analyze.entry_id                             1LI7
_refine_analyze.Luzzati_coordinate_error_obs         0.37
_refine_analyze.Luzzati_sigma_a_obs                  0.38
_refine_analyze.Luzzati_d_res_low_obs                5.00
_refine_analyze.Luzzati_coordinate_error_free        0.45
_refine_analyze.Luzzati_sigma_a_free                 0.44
_refine_analyze.Luzzati_d_res_low_free               ?
_refine_analyze.number_disordered_residues           ?
_refine_analyze.occupancy_sum_hydrogen               ?
_refine_analyze.occupancy_sum_non_hydrogen           ?
_refine_analyze.pdbx_Luzzati_d_res_high_obs          ?
_refine_analyze.pdbx_refine_id                       X-RAY DIFFRACTION
_refine_hist.pdbx_refine_id                          X-RAY DIFFRACTION
_refine_hist.cycle_id                                LAST
_refine_hist.pdbx_number_atoms_protein               5740
_refine_hist.pdbx_number_atoms_nucleic_acid          0
_refine_hist.pdbx_number_atoms_ligand                16
_refine_hist.number_atoms_solvent                    71
_refine_hist.number_atoms_total                      5827
_refine_hist.d_res_high                              2.60
_refine_hist.d_res_low                               19.95
_refine_ls_shell.pdbx_total_number_of_bins_used      6
_refine_ls_shell.d_res_high                          2.60
_refine_ls_shell.d_res_low                           2.76
_refine_ls_shell.number_reflns_R_work                4738
_refine_ls_shell.R_factor_R_work                     0.32
_refine_ls_shell.percent_reflns_obs                  100.0
_refine_ls_shell.R_factor_R_free                     0.362
_refine_ls_shell.R_factor_R_free_error               0.016
_refine_ls_shell.percent_reflns_R_free               10.2
_refine_ls_shell.number_reflns_R_free                537
_refine_ls_shell.number_reflns_obs                   ?
_refine_ls_shell.redundancy_reflns_obs               ?
_refine_ls_shell.number_reflns_all                   ?
_refine_ls_shell.R_factor_all                        ?
_refine_ls_shell.pdbx_refine_id                      X-RAY DIFFRACTION
_struct.entry_id                                     1LI7
_struct.title                                        Crystal Structure of Cysteinyl-tRNA Synthetase with Cysteine Substrate Bound
_struct.pdbx_descriptor                              CYSTEINYL-TRNA SYNTHETASE (E.C.6.1.1.16)
_struct.pdbx_model_details                           ?
_struct.pdbx_CASP_flag                               ?
_struct.pdbx_model_type_details                      ?
_struct_keywords.entry_id                            1LI7
_struct_keywords.pdbx_keywords                       LIGASE
_struct_keywords.text                                TRNA SYNTHETASE, CYSTEINE, E.COLI, LIGASE
_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                          ?
_database_PDB_matrix.entry_id                        1LI7
_atom_sites.entry_id                                 1LI7
_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_validate_main_chain_plane.id                   1
_pdbx_validate_main_chain_plane.PDB_model_num        1
_pdbx_validate_main_chain_plane.auth_comp_id         MET
_pdbx_validate_main_chain_plane.auth_asym_id         B
_pdbx_validate_main_chain_plane.auth_seq_id          88
_pdbx_validate_main_chain_plane.PDB_ins_code         ?
_pdbx_validate_main_chain_plane.label_alt_id         ?
_pdbx_validate_main_chain_plane.improper_torsion_angle 10.28
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