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 subtype
32873 1haa 4195 cing 2-parsed STAR entry full 

data_1haa_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1haa 
    _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_1haa   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1haa 
    _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   1haa   "Master copy"    parsed_1haa   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1haa 
    _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   1haa.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1haa   1   
        1   1haa.mr   .   .   "MR format"    2   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1haa   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_1haa 
    _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     COMPLEX (TOXIN/PEPTIDE)                04-APR-01   1HAA
*TITLE     A BETA-HAIRPIN STRUCTURE IN A 13-MER PEPTIDE THAT BINDS
*TITLE    2 A-BUNGAROTOXIN WITH HIGH AFFINITY AND NEUTRALIZES ITS
*TITLE    3 TOXICITY
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: LONG NEUROTOXIN 1, BGTX, ALPHA-BTX, A-BTX;
*COMPND   5 OTHER_DETAILS: ALPHA-NEUROTOXIN;
*COMPND   6 MOL_ID: 2;
*COMPND   7 MOLECULE: PEPTIDE;
*COMPND   8 CHAIN: B;
*COMPND   9 SYNONYM: HIGH AFFINITY PEPTIDE;
*COMPND  10 OTHER_DETAILS: A CHEMICALLY SYNTHESIZED PEPTIDE THAT
*COMPND  12 INHIBITS A-BTX BINDING TO ACHR WITH AN IC50 OF 2 NM
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;
*SOURCE   3 ORGANISM_COMMON: MANY-BANDED KRAIT;
*SOURCE   4 SECRETION: VENOM;
*SOURCE   5 MOL_ID: 2;
*SOURCE   6 SYNTHETIC: MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE
*SOURCE   7 RECEPTOR;
*KEYWDS    ACETYLCHOLINE RECEPTOR MIMITOPE, ALPHA-BUNGAROTOXIN,
*KEYWDS   2 PROTEIN-PEPTIDE COMPLEX, TOXIN, BETA-HAIRPIN
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR    T.SCHERF,R.KASHER,M.BALASS,M.FRIDKIN,S.FUCHS,
*AUTHOR   2 E.KATCHALSKI-KATZIR




;

save_

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, June 29, 2024 2:26:41 AM GMT (wattos1)