NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
53699 2roq cing 2-parsed STAR comment 

data_2roq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2roq 
    _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_2roq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2roq 
    _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   2roq   "Master copy"    parsed_2roq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2roq 
    _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   2roq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2roq   1   
        1   2roq.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             0   parsed_2roq   1   
        1   2roq.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2roq   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_2roq 
    _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                             05-APR-08   2ROQ              
*TITLE     SOLUTION STRUCTURE OF THE THIOLATION-THIOESTERASE DI-DOMAIN           
*TITLE    2 OF ENTEROBACTIN SYNTHETASE COMPONENT F                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENTEROBACTIN SYNTHETASE COMPONENT F;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TTE, UNP RESIDUES 960-1293;                                
*COMPND   5 SYNONYM: ENTEROCHELIN SYNTHASE F, SERINE-ACTIVATING ENZYME,          
*COMPND   6 SERYL-AMP LIGASE;                                                    
*COMPND   7 EC: 2.7.7.-;                                                         
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 562;                                                 
*SOURCE   4 GENE: ENT;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET30A+                                    
*KEYWDS    ENTF, T-TE, PCP, THIOESTERASE, PEPTIDYL CARRIER PROTEIN,              
*KEYWDS   2 THIOLATION DOMAIN, ENTEROBACTIN, NON-RIBOSOMAL PEPTIDE               
*KEYWDS   3 SYNTHETASE, NRPS, ALPHA/BETA-HYDROLASE, DIDOMAIN,                    
*KEYWDS   4 ENTEROBACTIN BIOSYNTHESIS, ION TRANSPORT, IRON, IRON                 
*KEYWDS   5 TRANSPORT, LIGASE, MULTIFUNCTIONAL ENZYME,                           
*KEYWDS   6 PHOSPHOPANTETHEINE, TRANSFERASE, TRANSPORT                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.P.FRUEH, H.ARTHANARI, A.KOGLIN, D.A.VOSBURG, A.E.BENNETT,           
*AUTHOR   2 C.T.WALSH, G.WAGNER                                                  
*REVDAT   1   07-APR-09 2ROQ    0                                                


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save_

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