NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
40208 |
1umt   |
cing | 2-parsed | STAR | comment |
data_1umt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1umt
_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_1umt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1umt
_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 1umt "Master copy" parsed_1umt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1umt
_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 1umt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1umt 1
1 1umt.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1umt 1
1 1umt.mr . . DISCOVER 3 distance "general distance" simple 0 parsed_1umt 1
1 1umt.mr . . DISCOVER 4 distance "hydrogen bond" simple 0 parsed_1umt 1
1 1umt.mr . . DISCOVER 5 distance "general distance" simple 0 parsed_1umt 1
1 1umt.mr . . DISCOVER 6 distance NOE simple 0 parsed_1umt 1
1 1umt.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1umt 1
1 1umt.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1umt 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_1umt
_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 (PROTEINASE/INHIBITOR) 31-OCT-95 1UMT
*TITLE STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR
*TITLE 2 BOUND, PH 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE;
*TITLE 3 NMR AVERAGE OF 20 STRUCTURES MINIMIZED WITH RESTRAINTS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: STROMELYSIN-1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: CATALYTIC DOMAIN RESIDUES 83 - 256;
*COMPND 5 SYNONYM: MATRIX METALLOPROTEINASE-3, MMP-3;
*COMPND 6 EC: 3.4.24.17;
*COMPND 7 ENGINEERED: YES;
*COMPND 8 MOL_ID: 2;
*COMPND 9 MOLECULE: (R,S)-N-[2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-
*COMPND 10 METHYL-1-OXOPENTYL]-L-LEUCYL-L-PHENYLALANINAMIDE;
*COMPND 11 CHAIN: B;
*COMPND 12 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI DH5AF'IQ;
*SOURCE 5 EXPRESSION_SYSTEM_PLASMID: PGEMEX-D;
*SOURCE 6 EXPRESSION_SYSTEM_GENE: HUMAN STROMELYSIN-1 CATALYTIC
*SOURCE 7 DOMAIN;
*SOURCE 8 OTHER_DETAILS: INDUCTION BY M13 WITH T7 RNA POLYMERASE;
*SOURCE 9 MOL_ID: 2;
*SOURCE 10 SYNTHETIC: YES
*KEYWDS ZINC HYDROLASE, METZINCIN, MATRIX METALLOPROTEINASE
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR S.R.VAN DOREN,A.V.KUROCHKIN,W.HU,E.R.P.ZUIDERWEG
*REVDAT 1 08-MAR-96 1UMT 0
;
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 6:31:43 AM GMT (wattos1)