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
456427 2kug 16764 cing 2-parsed STAR comment


data_2kug_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kug 
    _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_2kug   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kug 
    _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   2kug   "Master copy"    parsed_2kug   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kug 
    _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   2kug.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2kug   1   
        1   2kug.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             0   parsed_2kug   1   
        1   2kug.mr   .   .    XPLOR/CNS     3    distance                  NOE                   simple             0   parsed_2kug   1   
        1   2kug.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"        simple             0   parsed_2kug   1   
        1   2kug.mr   .   .    XPLOR/CNS     5    distance                 "general distance"     simple             0   parsed_2kug   1   
        1   2kug.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_2kug   1   
        1   2kug.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2kug   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_2kug 
    _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    METAL BINDING PROTEIN                   17-FEB-10   2KUG              
*TITLE     HALOTHANE BINDS TO DRUGGABLE SITES IN CALCIUM-CALMODULIN:             
*TITLE    2 SOLUTION STRUCTURE OF HALOTHANE-CAM N-TERMINAL DOMAIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN EF-HANDS 1 AND 2;                        
*COMPND   5 SYNONYM: CAM;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CALM, CALM1, CALM2, CALM3, CALML2, CAM, CAM1, CAM2,            
*SOURCE   6 CAM3, CAMB, CAMC, CAMIII;                                            
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-PLYSS;                           
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET 15B                                    
*KEYWDS    CALMODULIN, CALCIUM BINDING, VOLATILE ANESTHETIC, HALOTHANE,          
*KEYWDS   2 ACETYLATION, CALCIUM, CYTOPLASM, CYTOSKELETON, ISOPEPTIDE            
*KEYWDS   3 BOND, METHYLATION, PHOSPHOPROTEIN, POLYMORPHISM, UBL                 
*KEYWDS   4 CONJUGATION, METAL BINDING PROTEIN                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    N.JURANIC, S.MACURA, M.V.SIMEONOV, K.A.JONES, A.R.PENHEITER,          
*AUTHOR   2 T.J.HOCK, J.H.STREIFF                                                
*REVDAT   1   09-MAR-10 2KUG    0                                                


;

save_





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