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
51796 2kak 16025 cing 2-parsed STAR comment 

data_2kak_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kak 
    _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_2kak   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kak 
    _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   2kak   "Master copy"    parsed_2kak   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kak 
    _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   2kak.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2kak   1   
        1   2kak.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             0   parsed_2kak   1   
        1   2kak.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple             0   parsed_2kak   1   
        1   2kak.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2kak   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_2kak 
    _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    METAL BINDING PROTEIN                   06-NOV-08   2KAK              
*TITLE     SOLUTION STRUCTURE OF THE BETA-E-DOMAIN OF WHEAT EC-1                 
*TITLE    2 METALLOTHIONEIN                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EC PROTEIN I/II;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 31-81;                                        
*COMPND   5 SYNONYM: ZINC METALLOTHIONEIN CLASS II;                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM;                              
*SOURCE   3 ORGANISM_COMMON: CANADIAN HARD WINTER WHEAT,COMMON WHEAT,            
*SOURCE   4 WHEAT;                                                               
*SOURCE   5 ORGANISM_TAXID: 4565;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: K12;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: BL21(DE3);                                
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PTYB2                                      
*KEYWDS    NMR, METALLOTHIONEIN, SOLUTION STRUCTURE, WHEAT EC-1, ZN              
*KEYWDS   2 BINDING, METAL-BINDING, METAL-THIOLATE CLUSTER, ZINC, METAL          
*KEYWDS   3 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.A.PEROZA, R.SCHMUCKI, P.GUNTERT, E.FREISINGER, O.ZERBE              
*REVDAT   1   05-MAY-09 2KAK    0                                                


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save_

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