NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
30444 |
1clh   |
4037 | cing | 2-parsed | STAR | comment |
data_1clh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1clh
_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_1clh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1clh
_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 1clh "Master copy" parsed_1clh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1clh
_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 1clh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1clh 1
1 1clh.mr . . unknown 2 distance NOE simple 0 parsed_1clh 1
1 1clh.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1clh 1
1 1clh.mr . . unknown 4 distance "hydrogen bond" simple 0 parsed_1clh 1
1 1clh.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1clh 1
1 1clh.mr . . unknown 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1clh 1
1 1clh.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1clh 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_1clh
_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 ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) 20-DEC-93 1CLH
*COMPND CYCLOPHILIN (NMR, 12 STRUCTURES)
*SOURCE (ESCHERICHIA COLI)
*AUTHOR R.T.CLUBB,G.WAGNER
*REVDAT 1 31-MAY-94 1CLH 0
##############################################################################
SUPPLEMENTARY MATERIAL
Experimental NMR restraints used to determine the three-dimensional solution
structure of periplasmic Cyclophilin from E. coli. The structures are based
on 1458 interproton distance restraints derived from NOE measurements; 108
hydrogen-bonding distance restraints for 54 hydrogen-bonds identified on the
basis of the NOE and amide proton exchange data, as well as initial structure
calculations; and 101 phi and 53 chi1 torsion angle restraints derived from
coupling constants and NOE data.
All the coordinates are included as a separate file: ecyp_brookhaven.pdb
References
1. Clubb, R. T., Ferguson, S. B., Walsh, C. T., and Wagner, G. (1994)
Biochemistry, in press
##############################################################################
NOE RESTRAINTS
1458 Total
483 (|i-j|) = 1
149 (|i-j|) =< 4
574 (|i-j|) > 4
252 Intraresidual
("-1.0" indicates a lower bound equal to the sum of the van der Waals radii)
##############################################################################
Bounds
Residue Atom Residue Atom Lower(A) Upper(A)
##############################################################################
;
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:29:15 AM GMT (wattos1)