NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
492455 2kbu cing 2-parsed STAR comment 

data_2kbu_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kbu 
    _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_2kbu   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kbu 
    _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   2kbu   "Master copy"    parsed_2kbu   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kbu 
    _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   2kbu.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2kbu   1   
        1   2kbu.mr   .   .    AMBER         2    distance                  NOE                 simple             0   parsed_2kbu   1   
        1   2kbu.mr   .   .    AMBER         3    stereochemistry           chirality          "Not applicable"    0   parsed_2kbu   1   
        1   2kbu.mr   .   .    AMBER         4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2kbu   1   
        1   2kbu.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2kbu   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_2kbu 
    _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    ISOMERASE                               08-DEC-08   2KBU              
*TITLE     NMR SOLUTION STRUCTURE OF PIN1 WW DOMAIN MUTANT WITH BETA             
*TITLE    2 TURN MIMIC AT POSITION 12                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-                  
*COMPND   3 INTERACTING 1;                                                       
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: UNP RESIDUES 6-39;                                         
*COMPND   6 SYNONYM: ROTAMASE PIN1, PPIASE PIN1;                                 
*COMPND   7 EC: 5.2.1.8;                                                         
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES;                                                       
*COMPND  10 OTHER_DETAILS: RESIDUES RSSG REPLACED BY THE BETA-TURN               
*COMPND  11 MIMIC CFD                                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RESIDUES RSSG REPLACED BY THE BETA-TURN               
*SOURCE   4 MIMIC CFD                                                            
*KEYWDS    BETA SHEET NUCLEATOR, BETA TURN MIMIC, CELL CYCLE,                    
*KEYWDS   2 ISOMERASE, NUCLEUS, PHOSPHOPROTEIN, ROTAMASE                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    A.A.FULLER, G.BHABHA, D.A.CASE                                        
*REVDAT   1   07-JUL-09 2KBU    0                                                


;

save_

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