NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
30447 | 1clh | 4037 | cing | 2-parsed | STAR | entry | full |
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_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1clh _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ############################################################################## HYDROGEN BOND RESTRAINTS 108 Total for 54 hydrogen-bonds ############################################################################## Bounds Residue Atom Residue Atom Lower(A) Upper(A) ############################################################################## ; save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1clh _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ############################################################################## DIHEDRAL ANGLE RESTRAINTS 154 Total 101 Phi 53 Chi1 ############################################################################## Bounds Residue Atom Residue Atom Residue Atom Residue Atom Lower Upper ############################################################################## ; save_
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