PDB -> mmCIF Data Item Correspondences


This document tabulates the correspondences between data items in the structured records of the PDB file format and data items defined in the mmCIF dictionary. The structured records in the following list are linked to tables which provide the data item correspondences. The mmCIF data items are in term linked to their definitions in the HTML mmCIF dictionary.


Flat File Structured Record List



PDB record ANISOU

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     _atom_site_anisotrop.id    
  Atom_Name     _atom_site_anisotrop.ndb_label_atom_id    
  Alt_Loc     _atom_site_anisotrop.ndb_label_alt_id    
  Residue_Name     _atom_site_anisotrop.ndb_label_comp_id    
  Strand_ID     _atom_site_anisotrop.ndb_label_asym_id    
  Residue_No     _atom_site_anisotrop.ndb_label_seq_num    
  Ins_Code     _atom_site_anisotrop.ndb_label_ins_code    
  U11     _atom_site_anisotrop.u[1][1]    
  U22     _atom_site_anisotrop.u[1][2]    
  U33     _atom_site_anisotrop.u[1][3]    
  U12     _atom_site_anisotrop.u[2][2]    
  U13     _atom_site_anisotrop.u[2][3]    
  U23     _atom_site_anisotrop.u[3][3]    


PDB record ATOMMN

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record ATOMMP

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record ATOMN

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record ATOMP

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record ATOMS

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Atom_Name     n.a.    
  Alt_Loc     n.a.    
  Residue_Name     n.a.    
  Strand_ID     n.a.    
  Residue_No     n.a.    
  Ins_Code     n.a.    
  X     n.a.    
  Y     n.a.    
  Z     n.a.    
  Occupancy     n.a.    
  T_Factor     n.a.    


PDB record AUTHOR

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Author1     _audit_author.name    


PDB record CAVEAT

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  PDB_ID     _database_pdb_caveat.id    
  Comment     _database_pdb_caveat.text    


PDB record CISPEP

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     _struct_mon_prot_cis.id    
  Residue_Name_1     _struct_mon_prot_cis.label_comp_id    
  Strand_ID_1     _struct_mon_prot_cis.label_asym_id    
  Sequence_Number_1     _struct_mon_prot_cis.label_seq_id    
  Ins_Code_1     _struct_mon_prot_cis.ndb_label_ins_code    
  Residue_Name_2     _struct_mon_prot_cis.ndb_label_comp_id_2    
  Strand_ID_2     _struct_mon_prot_cis.ndb_label_asym_id_2    
  Sequence_Number_2     _struct_mon_prot_cis.ndb_label_seq_id_2    
  Ins_Code_2     _struct_mon_prot_cis.ndb_label_ins_code_2    
  Model_Num     _struct_mon_prot_cis.ndb_model_num    
  Angle     _struct_mon_prot_cis.ndb_omega_angle    


PDB record CISPRO

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Strand_ID     n.a.    
  Sequence_Number     n.a.    
  Ins_Code     n.a.    


PDB record COMPND

Field Name mmCIF Data Item  
  Section     n.a.    
  PDB_Continuation     n.a.    
  Descriptor     _struct.ndb_descriptor    


PDB record CONECT

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Bonded_Atom_1     n.a.    
  Bonded_Atom_2     n.a.    
  Bonded_Atom_3     n.a.    
  Bonded_Atom_4     n.a.    
  H_Bond_Donor_1     n.a.    
  H_Bond_Donor_2     n.a.    
  Salt_Bridge_1     n.a.    
  H_Bond_Acceptor_1     n.a.    
  H_Bond_Acceptor_2     n.a.    
  Salt_Bridge_2     n.a.    


PDB record CRYST1

Field Name mmCIF Data Item  
  Section     n.a.    
  a     _cell.length_a    
  b     _cell.length_b    
  c     _cell.length_c    
  Alpha     _cell.angle_alpha    
  Beta     _cell.angle_beta    
  Gamma     _cell.angle_gamma    
  Space_Group     _symmetry.space_group_name_h-m    
  Z     _cell.z_pdb    


PDB record DBREF

Field Name mmCIF Data Item  
  Section     n.a.    
  PDB_ID_Code     _struct_ref_seq.ndb_pdb_id_code    
  Strand_ID     _struct_ref_seq.ndb_chain_id    
  Begin_Residue_Number     _struct_ref_seq.seq_align_beg    
  Begin_Ins_Code     _struct_ref_seq.ndb_seq_align_beg_ins_code    
  End_Residue_Number     _struct_ref_seq.seq_align_end    
  End_Ins_Code     _struct_ref_seq.ndb_seq_align_end_ins_code    
  Database     _struct_ref.db_name    
  Database_Accession_No     _struct_ref_seq.ndb_db_accession    
  Database_ID_Code     _struct_ref.db_code    
  Database_Begin_Residue_Number     _struct_ref_seq.db_align_beg    
  Databaes_Begin_Ins_Code     _struct_ref_seq.ndb_db_align_beg_ins_code    
  Database_End_Residue_Number     _struct_ref_seq.db_align_end    
  Databaes_End_Ins_Code     _struct_ref_seq.ndb_db_align_end_ins_code    


PDB record END

Field Name mmCIF Data Item  
  Section     n.a.    


PDB record ENDMDL

Field Name mmCIF Data Item  
  Section     n.a.    


PDB record EXPDTA

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Experimental_Technique     _exptl.method    


PDB record FORMUL

Field Name mmCIF Data Item  
  Section     n.a.    
  Formula_Component_No     _chem_comp.ndb_component_no    
  Het_Group_ID     _chem_comp.id    
  Continuation     n.a.    
  Formula_MW     _chem_comp.formula_weight    
  Formula     _chem_comp.formula    


PDB record FTNOTE

Field Name mmCIF Data Item  
  Section     n.a.    
  Footnote_Number     _atom_sites_footnote.id    
  Footnote     _atom_sites_footnote.text    


PDB record HEADER

Field Name mmCIF Data Item  
  Section     n.a.    
  Classification     _struct_keywords.ndb_keywords    
  Initial_Deposition_Date     _database_pdb_rev.date_original    
  Structure_ID     _database.entry_id   - and/or -
    _struct_keywords.entry_id   - and/or -
    _exptl.entry_id   - and/or -
    _struct.entry_id   - and/or -
    _ndb_na_struct_keywds.entry_id   - and/or -
    _ndb_database_status.entry_id   - and/or -
    _ndb_database_proc.entry_id   - and/or -
    _ndb_database_message.entry_id   - and/or -
    _ndb_coord.entry_id   - and/or -
    _reflns.entry_id   - and/or -
    _computing.entry_id   - and/or -
    _symmetry.entry_id   - and/or -
    _cell.entry_id   - and/or -
    _refine.entry_id   - and/or -
    _refine_analyze.entry_id   - and/or -
    _ndb_refine.entry_id   - and/or -
    _database_pdb_matrix.entry_id   - and/or -
    _atom_sites.entry_id   - and/or -
    _rcsb_nmr_refine.entry_id   - and/or -
    _rcsb_nmr_ensemble.entry_id   - and/or -
    _rcsb_nmr_representative.entry_id   - and/or -
    _rcsb_nmr_details.entry_id   - and/or -
    _rcsb_post_process_details.entry_id   - and/or -
    _rcsb_post_process_status.entry_id    


PDB record HELIX

Field Name mmCIF Data Item  
  Section     _struct_conf_type.id   - and/or -
    _struct_conf.conf_type_id    
  Serial_No     _struct_conf.id    
  Helix_id     _struct_conf.pdb_id    
  Beg_NDB_res_name     _struct_conf.beg_label_comp_id    
  Beg_NDB_Strand_ID     _struct_conf.beg_label_asym_id    
  Beg_NDB_res_num     _struct_conf.beg_label_seq_id    
  Beg_NDB_ins_code     _struct_conf.ndb_beg_label_ins_code_pdb    
  End_NDB_res_name     _struct_conf.end_label_comp_id    
  End_NDB_Strand_ID     _struct_conf.end_label_asym_id    
  End_NDB_res_num     _struct_conf.end_label_seq_id    
  End_NDB_ins_code     _struct_conf.ndb_end_label_ins_code_pdb    
  Helix_class     _struct_conf.ndb_helix_class_pdb    
  Details     _struct_conf.details    
  Length     _struct_conf.ndb_length    


PDB record HET

Field Name mmCIF Data Item  
  Section     n.a.    
  Het_Group_ID     _ndb_nonstandard_list.id    
  Het_Strand_ID     _ndb_nonstandard_list.label_asym_id   - and/or -
    _ndb_nonstandard_list.auth_asym_id    
  Het_Seq_No     _ndb_nonstandard_list.label_seq_id   - and/or -
    _ndb_nonstandard_list.auth_seq_id    
  Het_Ins_Code     _ndb_nonstandard_list.ins_code    
  Het_No_Atoms     _ndb_nonstandard_list.number_atoms_nh    
  Het_Text     n.a.    


PDB record HETAC

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETAD

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETAI

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETAIN

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETAS

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETIC

Field Name mmCIF Data Item  
  Section     _atom_site.group_pdb    
  Serial_No     _atom_site.id    
  Atom_Name     _atom_site.label_atom_id    
  Alt_Loc     _atom_site.label_alt_id    
  Residue_Name     _atom_site.label_comp_id    
  Strand_ID     _atom_site.label_asym_id    
  Residue_No     _atom_site.ndb_label_seq_num    
  Ins_Code     _atom_site.ndb_ins_code    
  X     _atom_site.cartn_x    
  Y     _atom_site.cartn_y    
  Z     _atom_site.cartn_z    
  Occupancy     _atom_site.occupancy    
  T_Factor     _atom_site.b_iso_or_equiv    


PDB record HETNAM

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Het_Group_ID     n.a.    
  Chemical_Name     _chem_comp.name    


PDB record HETSYN

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Het_Group_ID     n.a.    
  Synonyms     _chem_comp.ndb_synonyms    


PDB record HYDBND

Field Name mmCIF Data Item  
  Section     _struct_conn.conn_type_id    
  Atom_Name_1     _struct_conn.ptnr1_label_atom_id    
  Alt_Loc_1     _struct_conn.ndb_ptnr1_label_alt_loc    
  Residue_Name_1     _struct_conn.ptnr1_label_comp_id    
  Strand_ID_1     _struct_conn.ptnr1_label_asym_id    
  Residue_Number_1     _struct_conn.ptnr1_label_seq_id    
  Ins_Code_1     _struct_conn.ndb_ptnr1_label_ins_code    
  Atom_Name_H     _struct_conn.ndb_ptnr3_label_atom_id    
  Alt_Loc_H     _struct_conn.ndb_ptnr3_label_alt_loc    
  Strand_ID_H     _struct_conn.ndb_ptnr3_label_asym_id    
  Residue_Number_H     _struct_conn.ndb_ptnr3_label_seq_id    
  Ins_Code_H     _struct_conn.ndb_ptnr3_label_ins_code    
  Atom_Name_2     _struct_conn.ptnr2_label_atom_id    
  Alt_Loc_2     _struct_conn.ndb_ptnr2_label_alt_loc    
  Residue_Name_2     _struct_conn.ptnr2_label_comp_id    
  Strand_ID_2     _struct_conn.ptnr2_label_asym_id    
  Residue_Number_2     _struct_conn.ptnr2_label_seq_id    
  Ins_Code_2     _struct_conn.ndb_ptnr2_label_ins_code    
  Symmetry_Operator_1     _struct_conn.ptnr1_symmetry    
  Symmetry_Operator_2     _struct_conn.ptnr2_symmetry    


PDB record JRNL

Field Name mmCIF Data Item  
  Section     n.a.    
  Citation     _citation.id   - and/or -
    _citation_author.citation_id   - and/or -
    _citation_editor.citation_id    


PDB record KEYWDS

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Keywords_PDB     _struct_keywords.text    


PDB record LINK

Field Name mmCIF Data Item  
  Section     _struct_conn.conn_type_id    
  Atom_Name_1     _struct_conn.ptnr1_label_atom_id    
  Alt_Loc_1     _struct_conn.ndb_ptnr1_label_alt_loc    
  Residue_Name_1     _struct_conn.ptnr1_label_comp_id    
  Strand_ID_1     _struct_conn.ptnr1_label_asym_id    
  Residue_Number_1     _struct_conn.ptnr1_label_seq_id    
  Ins_Code_1     _struct_conn.ndb_ptnr1_label_ins_code    
  Atom_Name_2     _struct_conn.ptnr2_label_atom_id    
  Alt_Loc_2     _struct_conn.ndb_ptnr2_label_alt_loc    
  Residue_Name_2     _struct_conn.ptnr2_label_comp_id    
  Strand_ID_2     _struct_conn.ptnr2_label_asym_id    
  Residue_Number_2     _struct_conn.ptnr2_label_seq_id    
  Ins_Code_2     _struct_conn.ndb_ptnr2_label_ins_code    
  Symmetry_Operator_1     _struct_conn.ptnr1_symmetry    
  Symmetry_Operator_2     _struct_conn.ptnr2_symmetry    


PDB record MASTER

Field Name mmCIF Data Item  
  Section     n.a.    
  Remark_No     _ndb_database_pdb_master.num_remark    
  Ftnote_No     _ndb_database_pdb_master.num_ftnote    
  Het_No     _ndb_database_pdb_master.num_het    
  Helix_No     _ndb_database_pdb_master.num_helix    
  Sheet_No     _ndb_database_pdb_master.num_sheet    
  Turn_No     _ndb_database_pdb_master.num_turn    
  Site_No     _ndb_database_pdb_master.num_site    
  Trans_No     _ndb_database_pdb_master.num_trans    
  Atom_No     _ndb_database_pdb_master.num_coord    
  Ter_No     _ndb_database_pdb_master.num_ter    
  Conect_No     _ndb_database_pdb_master.num_conect    
  Seqres_No     _ndb_database_pdb_master.num_seqres    


PDB record MODEL

Field Name mmCIF Data Item  
  Section     n.a.    
  SerialNo     _atom_site.ndb_model    


PDB record MODRES

Field Name mmCIF Data Item  
  Section     _struct_conn.conn_type_id    
  PDB_ID_Code     _struct_conn.ndb_pdb_id    
  Residue_Name_Used     _struct_conn.ptnr1_label_comp_id    
  Strand_ID     _struct_conn.ptnr1_label_asym_id    
  Residue_Number     _struct_conn.ptnr1_label_seq_id    
  Ins_Code     _struct_conn.ndb_ptnr1_label_ins_code    
  Standard_Residue_Name     _struct_conn.ndb_ptnr1_standard_comp_id    
  Modification_Description     _struct_conn.details    


PDB record MTRIX

Field Name mmCIF Data Item  
  Section     n.a.    
  SerialNo     _struct_ncs_oper.id    
  X     _struct_ncs_oper.matrix[1][1]   - and/or -
    _struct_ncs_oper.matrix[2][1]   - and/or -
    _struct_ncs_oper.matrix[3][1]    
  Y     _struct_ncs_oper.matrix[1][2]   - and/or -
    _struct_ncs_oper.matrix[2][2]   - and/or -
    _struct_ncs_oper.matrix[3][2]    
  Z     _struct_ncs_oper.matrix[1][3]   - and/or -
    _struct_ncs_oper.matrix[2][3]   - and/or -
    _struct_ncs_oper.matrix[3][3]    
  V     _struct_ncs_oper.vector[1]   - and/or -
    _struct_ncs_oper.vector[2]   - and/or -
    _struct_ncs_oper.vector[3]    
  IGIVEN     _struct_ncs_oper.code    


PDB record OBSLTE

Field Name mmCIF Data Item  
  Section     _ndb_database_pdb_obs_spr.id    
  Continuation     n.a.    
  Date     _ndb_database_pdb_obs_spr.date    
  ID_old     _ndb_database_pdb_obs_spr.replace_pdb_id    
  ID_new     _ndb_database_pdb_obs_spr.pdb_id    


PDB record ORIGX

Field Name mmCIF Data Item  
  Section     n.a.    
  X     _database_pdb_matrix.origx[1][1]   - and/or -
    _database_pdb_matrix.origx[2][1]   - and/or -
    _database_pdb_matrix.origx[3][1]    
  Y     _database_pdb_matrix.origx[1][2]   - and/or -
    _database_pdb_matrix.origx[2][2]   - and/or -
    _database_pdb_matrix.origx[3][2]    
  Z     _database_pdb_matrix.origx[1][3]   - and/or -
    _database_pdb_matrix.origx[2][3]   - and/or -
    _database_pdb_matrix.origx[3][3]    
  T     _database_pdb_matrix.origx_vector[1]   - and/or -
    _database_pdb_matrix.origx_vector[2]   - and/or -
    _database_pdb_matrix.origx_vector[3]    


PDB record REMARK

Field Name mmCIF Data Item  
  Section     n.a.    
  Number     _ndb_database_remark.id    
  Comment     _ndb_database_remark.text    


PDB record REVDAT

Field Name mmCIF Data Item  
  Section     n.a.    
  Revision_Number     _database_pdb_rev.num    
  Continuation     n.a.    
  Revision_Date     _database_pdb_rev.date    
  Revision_ID     _database_pdb_rev.replaces    
  Revision_Type     _database_pdb_rev.mod_type    
  Revision_Records     _database_pdb_rev.rcsb_record_revised_1    
  Revision_Record2     _database_pdb_rev.rcsb_record_revised_2    
  Revision_Record3     _database_pdb_rev.rcsb_record_revised_3    
  Revision_Record4     _database_pdb_rev.rcsb_record_revised_4    


PDB record SCALE

Field Name mmCIF Data Item  
  Section     n.a.    
  X     _atom_sites.fract_transf_matrix[1][1]   - and/or -
    _atom_sites.fract_transf_matrix[2][1]   - and/or -
    _atom_sites.fract_transf_matrix[3][1]    
  Y     _atom_sites.fract_transf_matrix[1][2]   - and/or -
    _atom_sites.fract_transf_matrix[2][2]   - and/or -
    _atom_sites.fract_transf_matrix[3][2]    
  Z     _atom_sites.fract_transf_matrix[1][3]   - and/or -
    _atom_sites.fract_transf_matrix[2][3]   - and/or -
    _atom_sites.fract_transf_matrix[3][3]    
  U     _atom_sites.fract_transf_vector[1]   - and/or -
    _atom_sites.fract_transf_vector[2]   - and/or -
    _atom_sites.fract_transf_vector[3]    


PDB record SEQADV

Field Name mmCIF Data Item  
  Section     n.a.    
  PDB_ID_Code     _struct_ref_seq_dif.ndb_pdb_id_code    
  PDB_Res_Name_In_Conflict     _struct_ref_seq_dif.mon_id    
  PDB_Strand_ID     _struct_ref_seq_dif.ndb_pdb_chain_id    
  PDB_Residue_Number     _struct_ref_seq_dif.seq_num    
  PDB_Ins_Code     _struct_ref_seq_dif.ndb_pdb_ins_code    
  Sequence_Database     _struct_ref_seq_dif.ndb_seq_db_name    
  Seq_Database_Accession_No     _struct_ref_seq_dif.ndb_seq_db_accession_code    
  Seq_Res_Name     _struct_ref_seq_dif.db_mon_id    
  Seq_Residue_Number     _struct_ref_seq_dif.ndb_seq_db_seq_num    
  Conflict_Comment     _struct_ref_seq_dif.details    


PDB record SEQRES

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Strand_ID     _ndb_poly_seq_scheme.id    
  Strand_Length     n.a.    
  Residue_Name01     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name02     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name03     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name04     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name05     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name06     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name07     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name08     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name09     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name10     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name11     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name12     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    
  Residue_Name13     _entity_poly_seq.mon_id   - and/or -
    _ndb_poly_seq_scheme.mon_id    


PDB record SHEET

Field Name mmCIF Data Item  
  Section     n.a.    
  Range_id     _struct_sheet_order.range_id_1   - and/or -
    _struct_sheet_order.range_id_2   - and/or -
    _struct_sheet_range.id   - and/or -
    _struct_sheet_hbond.range_id_1    
  Sheet_id     _struct_sheet.id   - and/or -
    _struct_sheet_order.sheet_id   - and/or -
    _struct_sheet_range.sheet_id   - and/or -
    _struct_sheet_hbond.sheet_id    
  Number_of_strands     _struct_sheet.number_strands    
  Beg_NDB_res_name     _struct_sheet_range.beg_label_comp_id    
  Beg_NDB_Strand_ID     _struct_sheet_range.beg_label_asym_id    
  Beg_NDB_res_num     _struct_sheet_range.beg_label_seq_id    
  Beg_NDB_ins_code     _struct_sheet_range.ndb_beg_label_ins_code_pdb    
  End_NDB_res_name     _struct_sheet_range.end_label_comp_id    
  End_NDB_Strand_ID     _struct_sheet_range.end_label_asym_id    
  End_NDB_res_num     _struct_sheet_range.end_label_seq_id    
  End_NDB_ins_code     _struct_sheet_range.ndb_end_label_ins_code_pdb    
  Sense     _struct_sheet_order.sense    
  H_bond_cur_str_NDB_atom_id     _struct_sheet_hbond.range_1_beg_label_atom_id    
  H_bond_cur_str_NDB_res_name     _struct_sheet_hbond.ndb_range_1_beg_label_comp_id    
  H_bond_cur_str_NDB_Strand_ID     _struct_sheet_hbond.ndb_range_1_beg_label_asym_id    
  H_bond_cur_str_NDB_res_num     _struct_sheet_hbond.range_1_beg_label_seq_id    
  H_bond_cur_str_NDB_ins_code     _struct_sheet_hbond.ndb_range_1_beg_label_ins_code    
  H_bond_prev_str_NDB_atom_id     _struct_sheet_hbond.range_1_end_label_atom_id    
  H_bond_prev_str_NDB_res_name     _struct_sheet_hbond.ndb_range_1_end_label_comp_id    
  H_bond_prev_str_NDB_Strand_ID     _struct_sheet_hbond.ndb_range_1_end_label_asym_id    
  H_bond_prev_str_NDB_res_num     _struct_sheet_hbond.range_1_end_label_seq_id    
  H_bond_prev_str_NDB_ins_code     _struct_sheet_hbond.ndb_range_1_end_label_ins_code    


PDB record SIGATM

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Atom_Name     n.a.    
  Alt_Loc     n.a.    
  Residue_Name     n.a.    
  Strand_ID     n.a.    
  Residue_No     n.a.    
  Ins_Code     n.a.    
  Sigma_X     _atom_site.cartn_x_esd    
  Sigma_Y     _atom_site.cartn_y_esd    
  Sigma_Z     _atom_site.cartn_z_esd    
  Sigma_Occupancy     _atom_site.occupancy_esd    
  Sigma_T_Factor     _atom_site.b_iso_or_equiv_esd    


PDB record SIGUIJ

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Atom_Name     n.a.    
  Alt_Loc     n.a.    
  Residue_Name     n.a.    
  Strand_ID     n.a.    
  Residue_No     n.a.    
  Ins_Code     n.a.    
  Sigma_U11     _atom_site_anisotrop.u[1][1]_esd    
  Sigma_U22     _atom_site_anisotrop.u[1][2]_esd    
  Sigma_U33     _atom_site_anisotrop.u[1][3]_esd    
  Sigma_U12     _atom_site_anisotrop.u[2][2]_esd    
  Sigma_U13     _atom_site_anisotrop.u[2][3]_esd    
  Sigma_U23     _atom_site_anisotrop.u[3][3]_esd    


PDB record SITE

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     _struct_site_gen.id    
  Site_ID     _struct_site_gen.site_id    
  Residue_No     _struct_site_gen.ndb_num_res    
  Residue_Name_1     _struct_site_gen.label_comp_id   - and/or -
    _struct_site_gen.auth_comp_id    
  Strand_ID_1     _struct_site_gen.label_asym_id   - and/or -
    _struct_site_gen.auth_asym_id    
  Seq_No_1     _struct_site_gen.label_seq_id   - and/or -
    _struct_site_gen.auth_seq_id    
  Ins_Code_1     _struct_site_gen.ndb_label_ins_code    
  Residue_Name_2     n.a.    
  Strand_ID_2     n.a.    
  Seq_No_2     n.a.    
  Ins_Code_2     n.a.    
  Residue_Name_3     n.a.    
  Strand_ID_3     n.a.    
  Seq_No_3     n.a.    
  Ins_Code_3     n.a.    
  Residue_Name_4     n.a.    
  Strand_ID_4     n.a.    
  Seq_No_4     n.a.    
  Ins_Code_4     n.a.    


PDB record SLTBRG

Field Name mmCIF Data Item  
  Section     _struct_conn.conn_type_id    
  Atom_Name_1     _struct_conn.ptnr1_label_atom_id    
  Alt_Loc_1     _struct_conn.ndb_ptnr1_label_alt_loc    
  Residue_Name_1     _struct_conn.ptnr1_label_comp_id    
  Strand_ID_1     _struct_conn.ptnr1_label_asym_id    
  Residue_Number_1     _struct_conn.ptnr1_label_seq_id    
  Ins_Code_1     _struct_conn.ndb_ptnr1_label_ins_code    
  Atom_Name_2     _struct_conn.ptnr2_label_atom_id    
  Alt_Loc_2     _struct_conn.ndb_ptnr2_label_alt_loc    
  Residue_Name_2     _struct_conn.ptnr2_label_comp_id    
  Strand_ID_2     _struct_conn.ptnr2_label_asym_id    
  Residue_Number_2     _struct_conn.ptnr2_label_seq_id    
  Ins_Code_2     _struct_conn.ndb_ptnr2_label_ins_code    
  Symmetry_Operator_1     _struct_conn.ptnr1_symmetry    
  Symmetry_Operator_2     _struct_conn.ptnr2_symmetry    


PDB record SOURCE

Field Name mmCIF Data Item  
  Section     n.a.    
  PDB_Continuation     n.a.    
  Source     n.a.    


PDB record SPRSDE

Field Name mmCIF Data Item  
  Section     _ndb_database_pdb_obs_spr.id    
  Continuation     n.a.    
  Date     _ndb_database_pdb_obs_spr.date    
  ID_new     _ndb_database_pdb_obs_spr.pdb_id    
  ID_old     _ndb_database_pdb_obs_spr.replace_pdb_id    


PDB record SSBOND

Field Name mmCIF Data Item  
  Section     _struct_conn.conn_type_id    
  Serial_No     _struct_conn.id    
  NDB_Res_Name_CYS_1     _struct_conn.ptnr1_label_comp_id    
  NDB_Strand_ID_CYS_1     _struct_conn.ptnr1_label_asym_id    
  NDB_Res_No_CYS_1     _struct_conn.ptnr1_label_seq_id    
  NDB_Ins_Code_CYS_1     _struct_conn.ndb_ptnr1_label_ins_code    
  NDB_Res_Name_CYS_2     _struct_conn.ptnr2_label_comp_id    
  NDB_Strand_ID_CYS_2     _struct_conn.ptnr2_label_asym_id    
  NDB_Res_No_CYS_2     _struct_conn.ptnr2_label_seq_id    
  NDB_Ins_Code_CYS_2     _struct_conn.ndb_ptnr2_label_ins_code    
  Symmetry_Operator_1     _struct_conn.details    
  Symmetry_Operator_2     n.a.    


PDB record TER

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     n.a.    
  Residue_Name     n.a.    
  Strand_ID     n.a.    
  Residue_No     n.a.    
  Ins_Code     n.a.    


PDB record TITLE

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Title     _struct.title    


PDB record TURN

Field Name mmCIF Data Item  
  Section     _struct_conf_type.id   - and/or -
    _struct_conf.conf_type_id    
  Serial_no     _struct_conf.id    
  Turn_id     _struct_conf.pdb_id    
  Beg_NDB_res_name     _struct_conf.beg_label_comp_id    
  Beg_NDB_Strand_ID     _struct_conf.beg_label_asym_id    
  Beg_NDB_res_num     _struct_conf.beg_label_seq_id    
  Beg_NDB_ins_code     _struct_conf.ndb_beg_label_ins_code_pdb    
  End_NDB_residue_name     _struct_conf.end_label_comp_id    
  End_NDB_Strand_ID     _struct_conf.end_label_asym_id    
  End_NDB_res_num     _struct_conf.end_label_seq_id    
  End_NDB_ins_code     _struct_conf.ndb_end_label_ins_code_pdb    
  Comment     _struct_conf.details    


PDB record TVECT

Field Name mmCIF Data Item  
  Section     n.a.    
  Serial_No     _database_pdb_tvect.id    
  T1     _database_pdb_tvect.vector[1]    
  T2     _database_pdb_tvect.vector[2]    
  T3     _database_pdb_tvect.vector[3]    
  Comment     _database_pdb_tvect.details    


PDB record UNUSUA

Field Name mmCIF Data Item  
  Section     n.a.    
  Continuation     n.a.    
  Special_Structural_Features     n.a.    



Nucleic Acid Database Project
Rutgers University, Department of Chemistry
New Brunswick, New Jersey