NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
35550 |
1luh   |
cing | 2-parsed | STAR | entry | full |
data_1luh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1luh
_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_1luh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1luh
_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 1luh "Master copy" parsed_1luh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1luh
_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 1luh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . unknown 3 distance NOE simple 0 parsed_1luh 1
1 1luh.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . unknown 5 distance NOE simple 0 parsed_1luh 1
1 1luh.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . unknown 7 distance NOE simple 0 parsed_1luh 1
1 1luh.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . unknown 9 distance NOE simple 0 parsed_1luh 1
1 1luh.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1luh 1
1 1luh.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1luh 1
1 1luh.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1luh 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_1luh
_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 DNA 22-MAY-02 1LUH
*TITLE SOLUTION NMR STRUCTURE OF SELF-COMPLIMENTARY DUPLEX 5'-
*TITLE 2 D(TCCG*CGGA)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE
*TITLE 3 N2 POSITION OF G*
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*TP*CP*CP*(TME)GP*CP*GP*GP*A)-3';
*COMPND 3 CHAIN: A, B;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: DETAILS OF THE SYNTHESIS ARE DESCRIBED IN
*SOURCE 4 THE JOURNAL ARTICLE.
*KEYWDS DNA DUPLEX, GUANINE N2-GUANINE N2 INTERSTRAND CROSSLINK
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR P.D.DOOLEY, M.ZHANG, G.A.KORBEL, L.V.NECHEV, C.M.HARRIS,
*AUTHOR 2 M.P.STONE, T.M.HARRIS
*REVDAT 1 11-FEB-03 1LUH 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
RCSB ID: RCSB016282. Distance Restraints Derived from NOE Data Using MARDIGRAS for the Crosslinked 5'-d(TCCG*CGGA)2 Oligodeoxynucleotide
Class 1 Distance Restraints
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "Class 2 Distance Restraints"
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Class 3 Distance Restraints
;
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "Class 4 Distance Restraints"
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "Class 5 Distance Restraints"
save_
save_CNS/XPLOR_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1luh
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
Residue 1
Atom
Residue 2
Atom
Distance
(?)
Lower Limit
Upper Limit
4
H8
4
H4'
4.844
4.187
5.501
6
H8
5
H6
5.361
4.518
6.204
8
H8
7
H8
4.807
4.217
5.398
4
H8
4
H5'
4.580
3.581
5.579
1
H6
1
H4'
4.611
3.826
5.397
7
H8
7
H4'
5.043
3.477
6.610
8
H8
7
H3'
3.883
3.470
4.297
6
H8
6
H4'
5.305
4.050
6.561
1
H3'
1
H1'
4.051
3.334
4.768
6
H8
5
H3'
4.185
3.710
4.660
6
H8
6
H5'
4.219
3.903
4.536
2
H5
1
H1'
5.458
4.438
6.478
2
H5
1
H3'
5.112
4.246
5.978
4
H1'
4
H5'
4.763
4.390
5.136
8
H1'
8
H5''
5.521
4.984
6.058
2
H4'
1
H1'
5.336
4.247
6.426
4
H4'
3
H1'
5.984
4.870
7.099
5
H3'
5
H5
5.809
4.929
6.689
8
H1'
8
H5'
4.715
4.415
5.015
7
H8
6
H4'
5.658
5.358
5.958
2
H3'
2
H5
6.013
3.877
8.149
4
H8
3
H4'
6.531
4.588
8.474
;
7 1 168 5 parsed_1luh 1
stop_
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1luh
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 12
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Dooley, P. A., et al.
1
;
save_
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