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
31210 1dxw 4617 cing 2-parsed STAR comment 

data_1dxw_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1dxw 
    _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_1dxw   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1dxw 
    _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   1dxw   "Master copy"    parsed_1dxw   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1dxw 
    _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   1dxw.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1dxw   1   
        1   1dxw.mr   .   .   "MR format"    2   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1dxw   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_1dxw 
    _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    HYDROLASE/HYDROLASE INHIBITOR           17-JAN-00   1DXW
*TITLE     STRUCTURE OF HETERO COMPLEX OF NON STRUCTURAL PROTEIN (NS)
*TITLE    2 OF HEPATITIS C VIRUS (HCV) AND SYNTHETIC PEPTIDIC COMPOUND
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SERINE PROTEASE;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;
*COMPND   5 SYNONYM: NS3;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 MUTATION: YES;
*COMPND   9 OTHER_DETAILS: COVALENT BOND BETWEEN SER 139 OG AND ABK 190
*COMPND  10 C1 (DI-FLUORO-ABU-KETOACID) OF INHIBITOR;
*COMPND  11 MOL_ID: 2;
*COMPND  12 MOLECULE: GLU-LEU-(DI-FLUORO-ABU-KETOACID);
*COMPND  13 CHAIN: B
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS (ISOLATE 1);
*SOURCE   3 ORGANISM_COMMON: HCV;
*SOURCE   4 STRAIN: BK;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_CELL_LINE: BL21;
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PT7-7;
*SOURCE   9 MOL_ID: 2;
*SOURCE  10 SYNTHETIC: YES
*KEYWDS    HYDROLASE, NON STRUCTURAL PROTEIN, HEPATITIS C VIRUS,
*KEYWDS   2 SERINE PROTEASE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    G.BARBATO,D.O.CICERO,F.CORDIER,F.NARJES,B.GERLACH,
*AUTHOR   2 S.SAMBUCINI,S.GRZESIEK,V.G.MATASSA,R.DEFRANCESCO,R.BAZZO
*REVDAT   1   12-JAN-01 1DXW    0




;

save_

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