NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type
522179 2leg 17710 cing 2-parsed STAR comment


data_2leg_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2leg 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_2leg   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2leg 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   2leg   "Master copy"    parsed_2leg   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2leg 
    _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   2leg.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2leg   1   
        1   2leg.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_2leg   1   
        1   2leg.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple             0   parsed_2leg   1   
        1   2leg.mr   .   .    XPLOR/CNS     4    distance                 "general distance"     ambi               0   parsed_2leg   1   
        1   2leg.mr   .   .    unknown       5    unknown                  "Not applicable"      "Not applicable"    0   parsed_2leg   1   
        1   2leg.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2leg   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2leg 
    _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    MEMBRANE PROTEIN, OXIDOREDUCTASE        15-JUN-11   2LEG              
*TITLE     MEMBRANE PROTEIN COMPLEX DSBB-DSBA STRUCTURE BY JOINT CALCULATIONS    
*TITLE    2 WITH SOLID-STATE NMR AND X-RAY EXPERIMENTAL DATA                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA;                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES;                                                       
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: DISULFIDE BOND FORMATION PROTEIN B;                        
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 SYNONYM: DISULFIDE OXIDOREDUCTASE;                                   
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 83333;                                               
*SOURCE   4 STRAIN: K12;                                                         
*SOURCE   5 GENE: DSBA, DSF, PPFA, B3860, JW3832;                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PQE70;                                     
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE  11 ORGANISM_TAXID: 83333;                                               
*SOURCE  12 STRAIN: K12;                                                         
*SOURCE  13 GENE: DSBB, ROXB, YCGA, B1185, JW5182;                               
*SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE  16 EXPRESSION_SYSTEM_VECTOR: PQE70                                      
*KEYWDS    DISULFIDE BOND, MEMBRANE PROTEIN, REDOX-ACTIVE CENTER, CELL INNER     
*KEYWDS   2 MEMBRANE, CELL MEMBRANE, CHAPERONE, ELECTRON TRANSPORT, MEMBRANE,    
*KEYWDS   3 OXIDOREDUCTASE, TRANSMEMBRANE, TRANSPORT                             
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    M.TANG, L.J.SPERLING, D.A.BERTHOLD, C.D.SCHWIETERS, A.E.NESBITT,      
*AUTHOR   2 A.J.NIEUWKOOP, R.B.GENNIS, C.M.RIENSTRA                              
*REVDAT   1   26-OCT-11 2LEG    0                                                


;

save_





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