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
50988 2k4l 15613 cing 2-parsed STAR comment 

data_2k4l_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k4l 
    _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_2k4l   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k4l 
    _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   2k4l   "Master copy"    parsed_2k4l   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k4l 
    _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   2k4l.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2k4l   1   
        1   2k4l.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_2k4l   1   
        1   2k4l.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2k4l   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_2k4l 
    _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    DNA                                     13-JUN-08   2K4L              
*TITLE     SOLUTION STRUCTURE OF A 2:1C2-(2-NAPHTHYL)PYRROLO[2,1-C][1,           
*TITLE    2 4]BENZODIAZEPINE (PBD) DNA ADDUCT: MOLECULAR BASIS FOR               
*TITLE    3 UNEXPECTEDLY HIGH DNA HELIX STABILIZATION.                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-          
*COMPND   4 3';                                                                  
*COMPND   5 CHAIN: A, B;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE 14-MER NUCLEOTIDE SEQUENCE                        
*SOURCE   4 AATCTTTAAAGATT WAS SYNTHESISED USING AN APPLIED BIOSYSTEMS           
*SOURCE   5 DNA SYNTHESIZER. THE DNA SEQUENCE WAS PURIFIED BY REVERSED-          
*SOURCE   6 PHASE HPLC AT ROOM TEMPERATURE. THE DUPLEX WAS FORMED BY             
*SOURCE   7 ANNEALING IN PHOSPHATE BUFFER.                                       
*KEYWDS    PYRROLO[2, 1-C][1, 4]BENZODIAZEPINE, PBD, DNA ADDUCT                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.ANTONOW, T.BARATA, T.C.JENKINS, G.N.PARKINSON, P.W.HOWARD,          
*AUTHOR   2 D.E.THURSTON, M.ZLOH                                                 
*REVDAT   1   28-OCT-08 2K4L    0                                                


;

save_

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