data_wwPDB_remediated_restraints_file_for_PDB_entry_1z7p

# This wwPDB archive file contains, for PDB entry 1z7p:
#
# - 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_1z7p
   _Entry.Title                        "wwPDB remediated NMR restraints for PDB entry 1z7p"
   _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 1z7p"

save_


save_assembly
   _Assembly.Sf_category            assembly
   _Assembly.Sf_framecode           assembly
   _Assembly.Entry_ID               rr_1z7p
   _Assembly.ID                     1
   _Assembly.Name                   1z7p
   _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         12515.3061

   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 glutaredoxin 1 $glutaredoxin A . no . . . . . . rr_1z7p 1 

   stop_

save_


save_glutaredoxin
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      glutaredoxin
   _Entity.Entry_ID                          rr_1z7p
   _Entity.ID                                1
   _Entity.Name                              glutaredoxin
   _Entity.Type                              polymer
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code      
;
MASKQELDAALKKAKELASS
APVVVFSKTYCGYCNRVKQL
LTQVGASYKVVELDELSDGS
QLQSALAHWTGRGTVPNVFI
GGKQIGGCDTVVEKHQRNEL
LPLLQDAAATAKNPAQL
;
   _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                117
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      "all free"
   _Entity.Parent_entity_ID                  1
   _Entity.Formula_weight                    12515.3061

   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 . MET . rr_1z7p 1 
        2 . ALA . rr_1z7p 1 
        3 . SER . rr_1z7p 1 
        4 . LYS . rr_1z7p 1 
        5 . GLN . rr_1z7p 1 
        6 . GLU . rr_1z7p 1 
        7 . LEU . rr_1z7p 1 
        8 . ASP . rr_1z7p 1 
        9 . ALA . rr_1z7p 1 
       10 . ALA . rr_1z7p 1 
       11 . LEU . rr_1z7p 1 
       12 . LYS . rr_1z7p 1 
       13 . LYS . rr_1z7p 1 
       14 . ALA . rr_1z7p 1 
       15 . LYS . rr_1z7p 1 
       16 . GLU . rr_1z7p 1 
       17 . LEU . rr_1z7p 1 
       18 . ALA . rr_1z7p 1 
       19 . SER . rr_1z7p 1 
       20 . SER . rr_1z7p 1 
       21 . ALA . rr_1z7p 1 
       22 . PRO . rr_1z7p 1 
       23 . VAL . rr_1z7p 1 
       24 . VAL . rr_1z7p 1 
       25 . VAL . rr_1z7p 1 
       26 . PHE . rr_1z7p 1 
       27 . SER . rr_1z7p 1 
       28 . LYS . rr_1z7p 1 
       29 . THR . rr_1z7p 1 
       30 . TYR . rr_1z7p 1 
       31 . CYS . rr_1z7p 1 
       32 . GLY . rr_1z7p 1 
       33 . TYR . rr_1z7p 1 
       34 . CYS . rr_1z7p 1 
       35 . ASN . rr_1z7p 1 
       36 . ARG . rr_1z7p 1 
       37 . VAL . rr_1z7p 1 
       38 . LYS . rr_1z7p 1 
       39 . GLN . rr_1z7p 1 
       40 . LEU . rr_1z7p 1 
       41 . LEU . rr_1z7p 1 
       42 . THR . rr_1z7p 1 
       43 . GLN . rr_1z7p 1 
       44 . VAL . rr_1z7p 1 
       45 . GLY . rr_1z7p 1 
       46 . ALA . rr_1z7p 1 
       47 . SER . rr_1z7p 1 
       48 . TYR . rr_1z7p 1 
       49 . LYS . rr_1z7p 1 
       50 . VAL . rr_1z7p 1 
       51 . VAL . rr_1z7p 1 
       52 . GLU . rr_1z7p 1 
       53 . LEU . rr_1z7p 1 
       54 . ASP . rr_1z7p 1 
       55 . GLU . rr_1z7p 1 
       56 . LEU . rr_1z7p 1 
       57 . SER . rr_1z7p 1 
       58 . ASP . rr_1z7p 1 
       59 . GLY . rr_1z7p 1 
       60 . SER . rr_1z7p 1 
       61 . GLN . rr_1z7p 1 
       62 . LEU . rr_1z7p 1 
       63 . GLN . rr_1z7p 1 
       64 . SER . rr_1z7p 1 
       65 . ALA . rr_1z7p 1 
       66 . LEU . rr_1z7p 1 
       67 . ALA . rr_1z7p 1 
       68 . HIS . rr_1z7p 1 
       69 . TRP . rr_1z7p 1 
       70 . THR . rr_1z7p 1 
       71 . GLY . rr_1z7p 1 
       72 . ARG . rr_1z7p 1 
       73 . GLY . rr_1z7p 1 
       74 . THR . rr_1z7p 1 
       75 . VAL . rr_1z7p 1 
       76 . PRO . rr_1z7p 1 
       77 . ASN . rr_1z7p 1 
       78 . VAL . rr_1z7p 1 
       79 . PHE . rr_1z7p 1 
       80 . ILE . rr_1z7p 1 
       81 . GLY . rr_1z7p 1 
       82 . GLY . rr_1z7p 1 
       83 . LYS . rr_1z7p 1 
       84 . GLN . rr_1z7p 1 
       85 . ILE . rr_1z7p 1 
       86 . GLY . rr_1z7p 1 
       87 . GLY . rr_1z7p 1 
       88 . CYS . rr_1z7p 1 
       89 . ASP . rr_1z7p 1 
       90 . THR . rr_1z7p 1 
       91 . VAL . rr_1z7p 1 
       92 . VAL . rr_1z7p 1 
       93 . GLU . rr_1z7p 1 
       94 . LYS . rr_1z7p 1 
       95 . HIS . rr_1z7p 1 
       96 . GLN . rr_1z7p 1 
       97 . ARG . rr_1z7p 1 
       98 . ASN . rr_1z7p 1 
       99 . GLU . rr_1z7p 1 
      100 . LEU . rr_1z7p 1 
      101 . LEU . rr_1z7p 1 
      102 . PRO . rr_1z7p 1 
      103 . LEU . rr_1z7p 1 
      104 . LEU . rr_1z7p 1 
      105 . GLN . rr_1z7p 1 
      106 . ASP . rr_1z7p 1 
      107 . ALA . rr_1z7p 1 
      108 . ALA . rr_1z7p 1 
      109 . ALA . rr_1z7p 1 
      110 . THR . rr_1z7p 1 
      111 . ALA . rr_1z7p 1 
      112 . LYS . rr_1z7p 1 
      113 . ASN . rr_1z7p 1 
      114 . PRO . rr_1z7p 1 
      115 . ALA . rr_1z7p 1 
      116 . GLN . rr_1z7p 1 
      117 . LEU . rr_1z7p 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

      . MET   1   1 rr_1z7p 1 
      . ALA   2   2 rr_1z7p 1 
      . SER   3   3 rr_1z7p 1 
      . LYS   4   4 rr_1z7p 1 
      . GLN   5   5 rr_1z7p 1 
      . GLU   6   6 rr_1z7p 1 
      . LEU   7   7 rr_1z7p 1 
      . ASP   8   8 rr_1z7p 1 
      . ALA   9   9 rr_1z7p 1 
      . ALA  10  10 rr_1z7p 1 
      . LEU  11  11 rr_1z7p 1 
      . LYS  12  12 rr_1z7p 1 
      . LYS  13  13 rr_1z7p 1 
      . ALA  14  14 rr_1z7p 1 
      . LYS  15  15 rr_1z7p 1 
      . GLU  16  16 rr_1z7p 1 
      . LEU  17  17 rr_1z7p 1 
      . ALA  18  18 rr_1z7p 1 
      . SER  19  19 rr_1z7p 1 
      . SER  20  20 rr_1z7p 1 
      . ALA  21  21 rr_1z7p 1 
      . PRO  22  22 rr_1z7p 1 
      . VAL  23  23 rr_1z7p 1 
      . VAL  24  24 rr_1z7p 1 
      . VAL  25  25 rr_1z7p 1 
      . PHE  26  26 rr_1z7p 1 
      . SER  27  27 rr_1z7p 1 
      . LYS  28  28 rr_1z7p 1 
      . THR  29  29 rr_1z7p 1 
      . TYR  30  30 rr_1z7p 1 
      . CYS  31  31 rr_1z7p 1 
      . GLY  32  32 rr_1z7p 1 
      . TYR  33  33 rr_1z7p 1 
      . CYS  34  34 rr_1z7p 1 
      . ASN  35  35 rr_1z7p 1 
      . ARG  36  36 rr_1z7p 1 
      . VAL  37  37 rr_1z7p 1 
      . LYS  38  38 rr_1z7p 1 
      . GLN  39  39 rr_1z7p 1 
      . LEU  40  40 rr_1z7p 1 
      . LEU  41  41 rr_1z7p 1 
      . THR  42  42 rr_1z7p 1 
      . GLN  43  43 rr_1z7p 1 
      . VAL  44  44 rr_1z7p 1 
      . GLY  45  45 rr_1z7p 1 
      . ALA  46  46 rr_1z7p 1 
      . SER  47  47 rr_1z7p 1 
      . TYR  48  48 rr_1z7p 1 
      . LYS  49  49 rr_1z7p 1 
      . VAL  50  50 rr_1z7p 1 
      . VAL  51  51 rr_1z7p 1 
      . GLU  52  52 rr_1z7p 1 
      . LEU  53  53 rr_1z7p 1 
      . ASP  54  54 rr_1z7p 1 
      . GLU  55  55 rr_1z7p 1 
      . LEU  56  56 rr_1z7p 1 
      . SER  57  57 rr_1z7p 1 
      . ASP  58  58 rr_1z7p 1 
      . GLY  59  59 rr_1z7p 1 
      . SER  60  60 rr_1z7p 1 
      . GLN  61  61 rr_1z7p 1 
      . LEU  62  62 rr_1z7p 1 
      . GLN  63  63 rr_1z7p 1 
      . SER  64  64 rr_1z7p 1 
      . ALA  65  65 rr_1z7p 1 
      . LEU  66  66 rr_1z7p 1 
      . ALA  67  67 rr_1z7p 1 
      . HIS  68  68 rr_1z7p 1 
      . TRP  69  69 rr_1z7p 1 
      . THR  70  70 rr_1z7p 1 
      . GLY  71  71 rr_1z7p 1 
      . ARG  72  72 rr_1z7p 1 
      . GLY  73  73 rr_1z7p 1 
      . THR  74  74 rr_1z7p 1 
      . VAL  75  75 rr_1z7p 1 
      . PRO  76  76 rr_1z7p 1 
      . ASN  77  77 rr_1z7p 1 
      . VAL  78  78 rr_1z7p 1 
      . PHE  79  79 rr_1z7p 1 
      . ILE  80  80 rr_1z7p 1 
      . GLY  81  81 rr_1z7p 1 
      . GLY  82  82 rr_1z7p 1 
      . LYS  83  83 rr_1z7p 1 
      . GLN  84  84 rr_1z7p 1 
      . ILE  85  85 rr_1z7p 1 
      . GLY  86  86 rr_1z7p 1 
      . GLY  87  87 rr_1z7p 1 
      . CYS  88  88 rr_1z7p 1 
      . ASP  89  89 rr_1z7p 1 
      . THR  90  90 rr_1z7p 1 
      . VAL  91  91 rr_1z7p 1 
      . VAL  92  92 rr_1z7p 1 
      . GLU  93  93 rr_1z7p 1 
      . LYS  94  94 rr_1z7p 1 
      . HIS  95  95 rr_1z7p 1 
      . GLN  96  96 rr_1z7p 1 
      . ARG  97  97 rr_1z7p 1 
      . ASN  98  98 rr_1z7p 1 
      . GLU  99  99 rr_1z7p 1 
      . LEU 100 100 rr_1z7p 1 
      . LEU 101 101 rr_1z7p 1 
      . PRO 102 102 rr_1z7p 1 
      . LEU 103 103 rr_1z7p 1 
      . LEU 104 104 rr_1z7p 1 
      . GLN 105 105 rr_1z7p 1 
      . ASP 106 106 rr_1z7p 1 
      . ALA 107 107 rr_1z7p 1 
      . ALA 108 108 rr_1z7p 1 
      . ALA 109 109 rr_1z7p 1 
      . THR 110 110 rr_1z7p 1 
      . ALA 111 111 rr_1z7p 1 
      . LYS 112 112 rr_1z7p 1 
      . ASN 113 113 rr_1z7p 1 
      . PRO 114 114 rr_1z7p 1 
      . ALA 115 115 rr_1z7p 1 
      . GLN 116 116 rr_1z7p 1 
      . LEU 117 117 rr_1z7p 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_1z7p
   _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_1z7p
   _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 1z7p.mr . .  XPLOR/CNS  1  distance               NOE                simple          0 rr_1z7p 1 
      1 1z7p.mr . .  AMBER      2  stereochemistry        chirality         "Not applicable" 0 rr_1z7p 1 
      1 1z7p.mr . .  AMBER      3 "dihedral angle"       "Not applicable"   "Not applicable" 0 rr_1z7p 1 
      1 1z7p.mr . .  AMBER      4  distance              "hydrogen bond"     simple          0 rr_1z7p 1 
      1 1z7p.mr . .  AMBER      5  distance              "general distance"  simple          0 rr_1z7p 1 
      1 1z7p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable"   "Not applicable" 0 rr_1z7p 1 

   stop_

save_


save_CNS/XPLOR_distance_constraints_1
   _Gen_dist_constraint_list.Sf_category          general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode         CNS/XPLOR_distance_constraints_1
   _Gen_dist_constraint_list.Entry_ID             rr_1z7p
   _Gen_dist_constraint_list.ID                   1
   _Gen_dist_constraint_list.Constraint_type      NOE
   _Gen_dist_constraint_list.Details             "Generated by Wattos"
   _Gen_dist_constraint_list.Constraint_file_ID   1
   _Gen_dist_constraint_list.Block_ID             1

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

      . . . . rr_1z7p 1 

   stop_

   loop_
      _Gen_dist_constraint_parse_err.ID
      _Gen_dist_constraint_parse_err.Content
      _Gen_dist_constraint_parse_err.Begin_line
      _Gen_dist_constraint_parse_err.Begin_column
      _Gen_dist_constraint_parse_err.End_line
      _Gen_dist_constraint_parse_err.End_column
      _Gen_dist_constraint_parse_err.Entry_ID
      _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID

      1 
      
;
*HEADER ELECTRON TRANSPORT 26-MAR-05 1Z7P *TITLE SOLUTION STRUCTURE OF REDUCED GLUTAREDOXIN C1 FROM POPULUS *TITLE 2 TREMULA X TREMULOIDES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLUTAREDOXIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: GLUTAREDOXIN C1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TREMULA X POPULUS TREMULOIDES; *SOURCE 3 ORGANISM_COMMON: POPULUS; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3D *KEYWDS ELECTRON TRANSPORT *EXPDTA NMR, 20 STRUCTURES *AUTHOR Y.FENG, N.ZHONG, N.ROUHIER, J.JACQUOT, B.XIA *REVDAT 1 28-MAR-06 1Z7P 0 
; 
      1 
      1 
      20 
      33 
      rr_1z7p 
      1 
      

   stop_

save_

