NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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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_
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