NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type
29266 1aou cing 2-parsed STAR comment


data_1aou_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1aou 
    _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_1aou   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1aou 
    _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   1aou   "Master copy"    parsed_1aou   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1aou 
    _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   1aou.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi               0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1aou   1   
        1   1aou.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"    0   parsed_1aou   1   
        1   1aou.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1aou   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_1aou 
    _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 (PROTO-ONCOGENE/EARLY PROTEIN)  10-JUL-97   1AOU    
*TITLE    NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A        
*TITLE   2 PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES                      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FYN PROTEIN-TYROSINE KINASE;                     
*COMPND  3 CHAIN: F;                                                  
*COMPND  4 FRAGMENT: SH2 DOMAIN;                                      
*COMPND  5 SYNONYM: SRC HOMOLOGY 2 DOMAIN;                            
*COMPND  6 EC: 2.7.1.112;                                             
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MUTATION: C97S, C98S, C104S;                               
*COMPND  9 MOL_ID: 2;                                                 
*COMPND 10 MOLECULE: PHOSPHOTYROSYL PEPTIDE;                          
*COMPND 11 CHAIN: P                                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PRK172;                         
*SOURCE  8 EXPRESSION_SYSTEM_GENE: LYSS;                              
*SOURCE  9 MOL_ID: 2;                                                 
*SOURCE 10 ORGANISM_SCIENTIFIC: HAMSTER POLYOMAVIRUS                  
*KEYWDS   SH2 DOMAIN, SIGNAL TRANSDUCTION, PEPTIDE COMPLEX,           
*KEYWDS  2 COMPLEX (PROTO-ONCOGENE/EARLY PROTEIN)                     
*EXPDTA   NMR, 22 STRUCTURES                                          
*AUTHOR   T.D.MULHERN,G.L.SHAW,C.J.MORTON,A.J.DAY,I.D.CAMPBELL        
*REVDAT  1   14-JAN-98 1AOU    0                                      
 
NMR structure of the Fyn SH2 domain complexed with a phosphotyrosyl peptide

;

save_





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