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
586289 2mtz 25192 cing 2-parsed STAR comment 

data_2mtz_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mtz 
    _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_2mtz   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mtz 
    _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   2mtz   "Master copy"    parsed_2mtz   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mtz 
    _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   2mtz.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2mtz   1   
        1   2mtz.mr   .   .    HADDOCK       2    distance                  NOE                 ambi               0   parsed_2mtz   1   
        1   2mtz.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2mtz   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_2mtz 
    _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    TRANSFERASE/STRUCTURAL PROTEIN          02-SEP-14   2MTZ              
*TITLE     HADDOCK MODEL OF BACILLUS SUBTILIS L,D-TRANSPEPTIDASE IN COMPLEX WITH 
*TITLE    2 A PEPTIDOGLYCAN HEXAMUROPEPTIDE                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE L,D-TRANSPEPTIDASE YKUD;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 2-167;                                        
*COMPND   5 SYNONYM: SPORE PROTEIN YKUD;                                         
*COMPND   6 EC: 2.-.-.-;                                                         
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: INTACT BACTERIAL PEPTIDOGLYCAN;                            
*COMPND  10 CHAIN: B, C, D, E, F, G                                              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_TAXID: 224308;                                              
*SOURCE   4 STRAIN: 168;                                                         
*SOURCE   5 GENE: BSU14040, Y647_14120, YKUD;                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET2818;                                  
*SOURCE  11 MOL_ID: 2;                                                           
*SOURCE  12 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE  13 ORGANISM_TAXID: 1423                                                 
*KEYWDS    TRANSPEPTIDASE, PEPTIDOGLYCAN BIOSYNTHESIS, TRANSFERASE-STRUCTURAL    
*KEYWDS   2 PROTEIN COMPLEX                                                      
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    5                                                                     
*AUTHOR    P.SCHANDA, S.TRIBOULET, C.LAGURI, C.BOUGAULT, I.AYALA, M.CALLON,      
*AUTHOR   2 M.ARTHUR, J.SIMORRE                                                  
*REVDAT   1   14-JAN-15 2MTZ    0                                                


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save_

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