data_wwPDB_remediated_restraints_file_for_PDB_entry_1gm0

# This wwPDB archive file contains, for PDB entry 1gm0:
#
# - Sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the NMR restraints share the same atom names as in the coordinate 
# file, and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in
# collaboration with the PDBe (formerly MSD) group at the European
# Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud
# University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.


save_entry_information
   _Entry.Sf_category                   entry_information
   _Entry.Sf_framecode                  entry_information
   _Entry.ID                            rr_1gm0
   _Entry.Title                        "wwPDB remediated NMR restraints for PDB entry 1gm0"
   _Entry.NMR_STAR_version              3.1
   _Entry.Experimental_method           NMR
   _Entry.Experimental_method_subtype   solution
   _Entry.Details                      "Contains the remediated restraint lists and coordinates for PDB entry 1gm0"

save_


save_assembly
   _Assembly.Sf_category            assembly
   _Assembly.Sf_framecode           assembly
   _Assembly.Entry_ID               rr_1gm0
   _Assembly.ID                     1
   _Assembly.Name                   1gm0
   _Assembly.Number_of_components   1
   _Assembly.Organic_ligands        0
   _Assembly.Metal_ions             0
   _Assembly.Non_standard_bonds     no
   _Assembly.Paramagnetic           no
   _Assembly.Thiol_state           "all free"
   _Assembly.Molecular_mass         15867.9586

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1 "PHEROMONE BINDING PROTEIN" 1 $PHEROMONE_BINDING_PROTEIN A . no . . . . . . rr_1gm0 1 

   stop_

save_


save_PHEROMONE_BINDING_PROTEIN
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      PHEROMONE_BINDING_PROTEIN
   _Entity.Entry_ID                          rr_1gm0
   _Entity.ID                                1
   _Entity.Name                              PHEROMONE_BINDING_PROTEIN
   _Entity.Type                              polymer
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code      
;
SQEVMKNLSLNFGKALDECK
KEMTLTDAINEDFYNFWKEG
YEIKNRETGCAIMCLSTKLN
MLDPEGNLHHGNAMEFAKKH
GADETMAQQLIDIVHGCEKS
TPANDDKCIWTLGVATCFKA
EIHKLNWAPSMDVAVGEILA
EV
;
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Number_of_monomers                142
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      "all free"
   _Entity.Parent_entity_ID                  1
   _Entity.Formula_weight                    15867.9586

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

        1 . SER . rr_1gm0 1 
        2 . GLN . rr_1gm0 1 
        3 . GLU . rr_1gm0 1 
        4 . VAL . rr_1gm0 1 
        5 . MET . rr_1gm0 1 
        6 . LYS . rr_1gm0 1 
        7 . ASN . rr_1gm0 1 
        8 . LEU . rr_1gm0 1 
        9 . SER . rr_1gm0 1 
       10 . LEU . rr_1gm0 1 
       11 . ASN . rr_1gm0 1 
       12 . PHE . rr_1gm0 1 
       13 . GLY . rr_1gm0 1 
       14 . LYS . rr_1gm0 1 
       15 . ALA . rr_1gm0 1 
       16 . LEU . rr_1gm0 1 
       17 . ASP . rr_1gm0 1 
       18 . GLU . rr_1gm0 1 
       19 . CYS . rr_1gm0 1 
       20 . LYS . rr_1gm0 1 
       21 . LYS . rr_1gm0 1 
       22 . GLU . rr_1gm0 1 
       23 . MET . rr_1gm0 1 
       24 . THR . rr_1gm0 1 
       25 . LEU . rr_1gm0 1 
       26 . THR . rr_1gm0 1 
       27 . ASP . rr_1gm0 1 
       28 . ALA . rr_1gm0 1 
       29 . ILE . rr_1gm0 1 
       30 . ASN . rr_1gm0 1 
       31 . GLU . rr_1gm0 1 
       32 . ASP . rr_1gm0 1 
       33 . PHE . rr_1gm0 1 
       34 . TYR . rr_1gm0 1 
       35 . ASN . rr_1gm0 1 
       36 . PHE . rr_1gm0 1 
       37 . TRP . rr_1gm0 1 
       38 . LYS . rr_1gm0 1 
       39 . GLU . rr_1gm0 1 
       40 . GLY . rr_1gm0 1 
       41 . TYR . rr_1gm0 1 
       42 . GLU . rr_1gm0 1 
       43 . ILE . rr_1gm0 1 
       44 . LYS . rr_1gm0 1 
       45 . ASN . rr_1gm0 1 
       46 . ARG . rr_1gm0 1 
       47 . GLU . rr_1gm0 1 
       48 . THR . rr_1gm0 1 
       49 . GLY . rr_1gm0 1 
       50 . CYS . rr_1gm0 1 
       51 . ALA . rr_1gm0 1 
       52 . ILE . rr_1gm0 1 
       53 . MET . rr_1gm0 1 
       54 . CYS . rr_1gm0 1 
       55 . LEU . rr_1gm0 1 
       56 . SER . rr_1gm0 1 
       57 . THR . rr_1gm0 1 
       58 . LYS . rr_1gm0 1 
       59 . LEU . rr_1gm0 1 
       60 . ASN . rr_1gm0 1 
       61 . MET . rr_1gm0 1 
       62 . LEU . rr_1gm0 1 
       63 . ASP . rr_1gm0 1 
       64 . PRO . rr_1gm0 1 
       65 . GLU . rr_1gm0 1 
       66 . GLY . rr_1gm0 1 
       67 . ASN . rr_1gm0 1 
       68 . LEU . rr_1gm0 1 
       69 . HIS . rr_1gm0 1 
       70 . HIS . rr_1gm0 1 
       71 . GLY . rr_1gm0 1 
       72 . ASN . rr_1gm0 1 
       73 . ALA . rr_1gm0 1 
       74 . MET . rr_1gm0 1 
       75 . GLU . rr_1gm0 1 
       76 . PHE . rr_1gm0 1 
       77 . ALA . rr_1gm0 1 
       78 . LYS . rr_1gm0 1 
       79 . LYS . rr_1gm0 1 
       80 . HIS . rr_1gm0 1 
       81 . GLY . rr_1gm0 1 
       82 . ALA . rr_1gm0 1 
       83 . ASP . rr_1gm0 1 
       84 . GLU . rr_1gm0 1 
       85 . THR . rr_1gm0 1 
       86 . MET . rr_1gm0 1 
       87 . ALA . rr_1gm0 1 
       88 . GLN . rr_1gm0 1 
       89 . GLN . rr_1gm0 1 
       90 . LEU . rr_1gm0 1 
       91 . ILE . rr_1gm0 1 
       92 . ASP . rr_1gm0 1 
       93 . ILE . rr_1gm0 1 
       94 . VAL . rr_1gm0 1 
       95 . HIS . rr_1gm0 1 
       96 . GLY . rr_1gm0 1 
       97 . CYS . rr_1gm0 1 
       98 . GLU . rr_1gm0 1 
       99 . LYS . rr_1gm0 1 
      100 . SER . rr_1gm0 1 
      101 . THR . rr_1gm0 1 
      102 . PRO . rr_1gm0 1 
      103 . ALA . rr_1gm0 1 
      104 . ASN . rr_1gm0 1 
      105 . ASP . rr_1gm0 1 
      106 . ASP . rr_1gm0 1 
      107 . LYS . rr_1gm0 1 
      108 . CYS . rr_1gm0 1 
      109 . ILE . rr_1gm0 1 
      110 . TRP . rr_1gm0 1 
      111 . THR . rr_1gm0 1 
      112 . LEU . rr_1gm0 1 
      113 . GLY . rr_1gm0 1 
      114 . VAL . rr_1gm0 1 
      115 . ALA . rr_1gm0 1 
      116 . THR . rr_1gm0 1 
      117 . CYS . rr_1gm0 1 
      118 . PHE . rr_1gm0 1 
      119 . LYS . rr_1gm0 1 
      120 . ALA . rr_1gm0 1 
      121 . GLU . rr_1gm0 1 
      122 . ILE . rr_1gm0 1 
      123 . HIS . rr_1gm0 1 
      124 . LYS . rr_1gm0 1 
      125 . LEU . rr_1gm0 1 
      126 . ASN . rr_1gm0 1 
      127 . TRP . rr_1gm0 1 
      128 . ALA . rr_1gm0 1 
      129 . PRO . rr_1gm0 1 
      130 . SER . rr_1gm0 1 
      131 . MET . rr_1gm0 1 
      132 . ASP . rr_1gm0 1 
      133 . VAL . rr_1gm0 1 
      134 . ALA . rr_1gm0 1 
      135 . VAL . rr_1gm0 1 
      136 . GLY . rr_1gm0 1 
      137 . GLU . rr_1gm0 1 
      138 . ILE . rr_1gm0 1 
      139 . LEU . rr_1gm0 1 
      140 . ALA . rr_1gm0 1 
      141 . GLU . rr_1gm0 1 
      142 . VAL . rr_1gm0 1 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . SER   1   1 rr_1gm0 1 
      . GLN   2   2 rr_1gm0 1 
      . GLU   3   3 rr_1gm0 1 
      . VAL   4   4 rr_1gm0 1 
      . MET   5   5 rr_1gm0 1 
      . LYS   6   6 rr_1gm0 1 
      . ASN   7   7 rr_1gm0 1 
      . LEU   8   8 rr_1gm0 1 
      . SER   9   9 rr_1gm0 1 
      . LEU  10  10 rr_1gm0 1 
      . ASN  11  11 rr_1gm0 1 
      . PHE  12  12 rr_1gm0 1 
      . GLY  13  13 rr_1gm0 1 
      . LYS  14  14 rr_1gm0 1 
      . ALA  15  15 rr_1gm0 1 
      . LEU  16  16 rr_1gm0 1 
      . ASP  17  17 rr_1gm0 1 
      . GLU  18  18 rr_1gm0 1 
      . CYS  19  19 rr_1gm0 1 
      . LYS  20  20 rr_1gm0 1 
      . LYS  21  21 rr_1gm0 1 
      . GLU  22  22 rr_1gm0 1 
      . MET  23  23 rr_1gm0 1 
      . THR  24  24 rr_1gm0 1 
      . LEU  25  25 rr_1gm0 1 
      . THR  26  26 rr_1gm0 1 
      . ASP  27  27 rr_1gm0 1 
      . ALA  28  28 rr_1gm0 1 
      . ILE  29  29 rr_1gm0 1 
      . ASN  30  30 rr_1gm0 1 
      . GLU  31  31 rr_1gm0 1 
      . ASP  32  32 rr_1gm0 1 
      . PHE  33  33 rr_1gm0 1 
      . TYR  34  34 rr_1gm0 1 
      . ASN  35  35 rr_1gm0 1 
      . PHE  36  36 rr_1gm0 1 
      . TRP  37  37 rr_1gm0 1 
      . LYS  38  38 rr_1gm0 1 
      . GLU  39  39 rr_1gm0 1 
      . GLY  40  40 rr_1gm0 1 
      . TYR  41  41 rr_1gm0 1 
      . GLU  42  42 rr_1gm0 1 
      . ILE  43  43 rr_1gm0 1 
      . LYS  44  44 rr_1gm0 1 
      . ASN  45  45 rr_1gm0 1 
      . ARG  46  46 rr_1gm0 1 
      . GLU  47  47 rr_1gm0 1 
      . THR  48  48 rr_1gm0 1 
      . GLY  49  49 rr_1gm0 1 
      . CYS  50  50 rr_1gm0 1 
      . ALA  51  51 rr_1gm0 1 
      . ILE  52  52 rr_1gm0 1 
      . MET  53  53 rr_1gm0 1 
      . CYS  54  54 rr_1gm0 1 
      . LEU  55  55 rr_1gm0 1 
      . SER  56  56 rr_1gm0 1 
      . THR  57  57 rr_1gm0 1 
      . LYS  58  58 rr_1gm0 1 
      . LEU  59  59 rr_1gm0 1 
      . ASN  60  60 rr_1gm0 1 
      . MET  61  61 rr_1gm0 1 
      . LEU  62  62 rr_1gm0 1 
      . ASP  63  63 rr_1gm0 1 
      . PRO  64  64 rr_1gm0 1 
      . GLU  65  65 rr_1gm0 1 
      . GLY  66  66 rr_1gm0 1 
      . ASN  67  67 rr_1gm0 1 
      . LEU  68  68 rr_1gm0 1 
      . HIS  69  69 rr_1gm0 1 
      . HIS  70  70 rr_1gm0 1 
      . GLY  71  71 rr_1gm0 1 
      . ASN  72  72 rr_1gm0 1 
      . ALA  73  73 rr_1gm0 1 
      . MET  74  74 rr_1gm0 1 
      . GLU  75  75 rr_1gm0 1 
      . PHE  76  76 rr_1gm0 1 
      . ALA  77  77 rr_1gm0 1 
      . LYS  78  78 rr_1gm0 1 
      . LYS  79  79 rr_1gm0 1 
      . HIS  80  80 rr_1gm0 1 
      . GLY  81  81 rr_1gm0 1 
      . ALA  82  82 rr_1gm0 1 
      . ASP  83  83 rr_1gm0 1 
      . GLU  84  84 rr_1gm0 1 
      . THR  85  85 rr_1gm0 1 
      . MET  86  86 rr_1gm0 1 
      . ALA  87  87 rr_1gm0 1 
      . GLN  88  88 rr_1gm0 1 
      . GLN  89  89 rr_1gm0 1 
      . LEU  90  90 rr_1gm0 1 
      . ILE  91  91 rr_1gm0 1 
      . ASP  92  92 rr_1gm0 1 
      . ILE  93  93 rr_1gm0 1 
      . VAL  94  94 rr_1gm0 1 
      . HIS  95  95 rr_1gm0 1 
      . GLY  96  96 rr_1gm0 1 
      . CYS  97  97 rr_1gm0 1 
      . GLU  98  98 rr_1gm0 1 
      . LYS  99  99 rr_1gm0 1 
      . SER 100 100 rr_1gm0 1 
      . THR 101 101 rr_1gm0 1 
      . PRO 102 102 rr_1gm0 1 
      . ALA 103 103 rr_1gm0 1 
      . ASN 104 104 rr_1gm0 1 
      . ASP 105 105 rr_1gm0 1 
      . ASP 106 106 rr_1gm0 1 
      . LYS 107 107 rr_1gm0 1 
      . CYS 108 108 rr_1gm0 1 
      . ILE 109 109 rr_1gm0 1 
      . TRP 110 110 rr_1gm0 1 
      . THR 111 111 rr_1gm0 1 
      . LEU 112 112 rr_1gm0 1 
      . GLY 113 113 rr_1gm0 1 
      . VAL 114 114 rr_1gm0 1 
      . ALA 115 115 rr_1gm0 1 
      . THR 116 116 rr_1gm0 1 
      . CYS 117 117 rr_1gm0 1 
      . PHE 118 118 rr_1gm0 1 
      . LYS 119 119 rr_1gm0 1 
      . ALA 120 120 rr_1gm0 1 
      . GLU 121 121 rr_1gm0 1 
      . ILE 122 122 rr_1gm0 1 
      . HIS 123 123 rr_1gm0 1 
      . LYS 124 124 rr_1gm0 1 
      . LEU 125 125 rr_1gm0 1 
      . ASN 126 126 rr_1gm0 1 
      . TRP 127 127 rr_1gm0 1 
      . ALA 128 128 rr_1gm0 1 
      . PRO 129 129 rr_1gm0 1 
      . SER 130 130 rr_1gm0 1 
      . MET 131 131 rr_1gm0 1 
      . ASP 132 132 rr_1gm0 1 
      . VAL 133 133 rr_1gm0 1 
      . ALA 134 134 rr_1gm0 1 
      . VAL 135 135 rr_1gm0 1 
      . GLY 136 136 rr_1gm0 1 
      . GLU 137 137 rr_1gm0 1 
      . ILE 138 138 rr_1gm0 1 
      . LEU 139 139 rr_1gm0 1 
      . ALA 140 140 rr_1gm0 1 
      . GLU 141 141 rr_1gm0 1 
      . VAL 142 142 rr_1gm0 1 

   stop_

save_


save_conformer_statistics
   _Conformer_stat_list.Sf_category                     conformer_statistics
   _Conformer_stat_list.Sf_framecode                    conformer_statistics
   _Conformer_stat_list.Entry_ID                        rr_1gm0
   _Conformer_stat_list.ID                              1
   _Conformer_stat_list.Conf_family_coord_set_ID        1
   _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
   _Conformer_stat_list.Conformer_submitted_total_num   20

save_


save_global_Org_file_characteristics
   _Constraint_stat_list.Sf_framecode   global_Org_file_characteristics
   _Constraint_stat_list.Sf_category    constraint_statistics
   _Constraint_stat_list.Entry_ID       rr_1gm0
   _Constraint_stat_list.ID             1

   loop_
      _Constraint_file.ID
      _Constraint_file.Constraint_filename
      _Constraint_file.Software_ID
      _Constraint_file.Software_label
      _Constraint_file.Software_name
      _Constraint_file.Block_ID
      _Constraint_file.Constraint_type
      _Constraint_file.Constraint_subtype
      _Constraint_file.Constraint_subsubtype
      _Constraint_file.Constraint_number
      _Constraint_file.Entry_ID
      _Constraint_file.Constraint_stat_list_ID

      1 1gm0.mr . . "MR format" 1  comment               "Not applicable" "Not applicable" 0 rr_1gm0 1 
      1 1gm0.mr . . "MR format" 2 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1gm0 1 

   stop_

save_


save_MR_file_comment_1
   _Org_constr_file_comment.Sf_framecode         MR_file_comment_1
   _Org_constr_file_comment.Sf_category          org_constr_file_comment
   _Org_constr_file_comment.Entry_ID             rr_1gm0
   _Org_constr_file_comment.ID                   1
   _Org_constr_file_comment.Constraint_file_ID   1
   _Org_constr_file_comment.Block_ID             1
   _Org_constr_file_comment.Details             "Generated by Wattos"
   _Org_constr_file_comment.Comment             
;
*HEADER TRANSPORT PROTEIN 05-SEP-01 1GM0
*TITLE A FORM OF THE PHEROMONE-BINDING PROTEIN FROM BOMBYX MORI
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI;
*SOURCE 3 ORGANISM_COMMON: SILKWORM MOTH;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*KEYWDS INSECT ODORANT-BINDING PROTEIN, PH-DEPENDENT CONFORMATION,
*KEYWDS 2 HELICAL INSERTION
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR R.HORST,F.DAMBERGER,P.GUNTERT,P.LUGINBUHL,L.NIKONOVA,
*AUTHOR 2 G.PENG,W.S.LEAL,K.WUTHRICH
*REVDAT 1 06-SEP-01 1GM0 0 
;

save_

