NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type |
|
|
30124 |
1bym   |
cing | recoord | dress | 2-parsed | STAR | comment |
data_1bym_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bym
_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_1bym 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bym
_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 1bym "Master copy" parsed_1bym
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bym
_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 1bym.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 2 distance NOE simple 0 parsed_1bym 1
1 1bym.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1bym 1
1 1bym.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bym 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_1bym
_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 GENE REGULATION 17-OCT-98 1BYM
*TITLE SOLUTION STRUCTURES OF THE C-TERMINAL DOMAIN OF DIPHTHERIA
*TITLE 2 TOXIN REPRESSOR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: RESIDUES 130-226;
*COMPND 5 SYNONYM: DTXR(130-226);
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE;
*SOURCE 3 GENE: DTXR;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_STRAIN: HMS-174;
*SOURCE 6 EXPRESSION_SYSTEM_VECTOR: PQE-31;
*SOURCE 7 OTHER_DETAILS: SWS P33120
*KEYWDS REPRESSOR, DTXR, C-TERMINAL DOMAIN, PROKARYOTIC SH3 DOMAIN,
*KEYWDS 2 TRANSCRIPTION REGULATION, PEPTIDE-BINDING
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR G.WANG, G.P.WYLIE, P.D.TWIGG, D.L.D.CASPAR, J.R.MURPHY,
*AUTHOR 2 T.M.LOGAN
*REVDAT 2 22-DEC-99 1BYM 4 HEADER COMPND REMARK JRNL
*REVDAT 2 2 4 ATOM SOURCE SEQRES
*REVDAT 1 21-OCT-98 1BYM 0
%%% DEPOSITOR INFORMATION
Include address information for the primary and secondary
contacts.
Primary contact
name : Timothy M. Logan
title : Dr.
department : Institute of Molecular Biophysics,
Department of Chemistry
institution : Florida State University
city : Tallahassee
state : Fl.
country : USA
postal code : 32306
telephone number : (850) 644-8979
fax number : (850) 561-1406
email address : logan@sb.fsu.edu
Secondary contact
name : Guangshun Wang
title : Dr.
department : Institute of Molecular Biophysics,
Department of Chemistry
institution : Florida State University
city : Tallahassee
state : Fl.
country : USA
postal code : 32306
telephone number : (850) 644-2286
fax number : (850) 561-1406
email address : gwang@sb.fsu.edu
------------------------------------------------------------------------------------------
%%% FILES DEPOSITED
List the names of all files being deposited at this time for
this structure. Include identifying information (depositor,
molecule, etc. ) within each file. If X_PLOR was used, please
send the molecular structure file (PSF file) as well as the
topology and parameter files for heterogens. For other
programs, please send equivalent files which describes the
topology and stereochemistry of the heterogen.
atomic coordinate file name : dtxr130.dat
Is this file in the form of a complete PDB entry?
[x] No
[ ] Yes
structure factor file name :
format :
NMR restraints file name : dtxr130.tbl
format : X-PLOR
------------------------------------------------------------------------------------------
%%% EXPERIMENTAL DATA (EXPDTA) OR MODEL
Describe the type of experiment and source of radiation by
marking the box(es) that apply.
[ ] theoretical model
[x] NMR
If NMR, the number of models included in this entry: 20 structures
If NMR, is this a minimized average structure?
[x] No
[ ] Yes
------------------------------------------------------------------------------------------
COMPOUND (COMPND)
Present the experiment title, including sufficient detail to
uniquely identify this experiment (e.g., pH, temperature,
ligands). Also complete the block section, repeating it for
each molecule of a complex. PDB will use this data to generate
index files. (E.C. stands for Enzyme Commission.)
Title to be used for this entry : C-terminal domain of diphtheria toxin
repressor, residues 130-226
(NMR, 20 structures
at pH 6.5, 30 degree Celsius)
// \\
molecule name : DtxR(130-226)
-----------------------------------------------------------------------------------------
The following are the nmr restraints used to determine the structures to be deposited
at the PDB, Brookhaven.
! Nuclear Overhauser effect (NOE) based distance restraints in X-PLOR format.
set message=off echo=off end
;
save_
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