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
578183 2m9q 19306 cing 2-parsed STAR comment


data_2m9q_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m9q 
    _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_2m9q   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m9q 
    _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   2m9q   "Master copy"    parsed_2m9q   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m9q 
    _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   2m9q.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"        simple             0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     4    distance                  NOE                   simple             0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     5    distance                 "general distance"     simple             0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     6    distance                  NOE                   simple             0   parsed_2m9q   1   
        1   2m9q.mr   .   .    XPLOR/CNS     7    distance                 "hydrogen bond"        simple             0   parsed_2m9q   1   
        1   2m9q.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2m9q   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_2m9q 
    _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           18-JUN-13   2M9Q              
*TITLE     NMR STRUCTURE OF AN INHIBITOR BOUND DENGUE NS3 PROTEASE               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3;         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1391-1440 AND 1476-1648;                      
*COMPND   5 SYNONYM: FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, NON-STRUCTURAL 
*COMPND   6 PROTEIN 2B;                                                          
*COMPND   7 EC: 3.4.21.91, 3.6.1.15, 3.6.4.13;                                   
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: SERINE PROTEASE INHIBITOR;                                 
*COMPND  11 CHAIN: B;                                                            
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DENGUE VIRUS 2;                                 
*SOURCE   3 ORGANISM_TAXID: 413041;                                              
*SOURCE   4 STRAIN: THAILAND/0168/1979;                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET11A;                                    
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES                                                       
*KEYWDS    NS2B COFACTOR, COVALENT LIGAND, HYDROLASE-HYDROLASE INHIBITOR COMPLEX 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.GIBBS, R.STEELE, B.TOUNGE                                           
*REVDAT   1   09-JUL-14 2M9Q    0                                                


;

save_





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

Contact the webmaster for help, if required. Monday, May 13, 2024 12:23:44 AM GMT (wattos1)