NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
47598 |
2h49   |
7230 | cing | 2-parsed | STAR | entry | full |
data_2h49_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2h49
_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_2h49 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2h49
_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 2h49 "Master copy" parsed_2h49
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2h49
_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 2h49.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . unknown 3 distance "hydrogen bond" simple 0 parsed_2h49 1
1 2h49.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . unknown 5 distance NOE simple 0 parsed_2h49 1
1 2h49.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . unknown 7 distance NOE simple 0 parsed_2h49 1
1 2h49.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . unknown 9 distance NOE simple 0 parsed_2h49 1
1 2h49.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . unknown 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_2h49 1
1 2h49.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2h49 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_2h49
_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 RNA 23-MAY-06 2H49
*TITLE THE NMR STRUCTURE OF AN INTERNAL LOOP FROM 23S RIBOSOMAL
*TITLE 2 RNA OF DEINOCOCCUS RADIODURANS DIFFERS FROM THE STRUCTURE
*TITLE 3 IN THE CRYSTAL OF THE RIBOSOMAL SUBUNIT
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*UP*AP*AP*GP*AP*C)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-R(*GP*UP*CP*GP*AP*AP*GP*CP*C)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SYNTHESIZED ON A DNA/RNA SYNTHESIZER;
*SOURCE 4 MOL_ID: 2;
*SOURCE 5 SYNTHETIC: YES;
*SOURCE 6 OTHER_DETAILS: SYNTHESIZED ON A DNA/RNA SYNTHESIZER
*KEYWDS RNA INTERNAL LOOP 5'CUAAG3'/3'GAAGC5', COMPARISON BETWEEN
*KEYWDS 2 CRYSTAL STRUCTURE AND NMR STRUCTURE, THERMODYNAMICS OF
*KEYWDS 3 INTERNAL LOOP
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR N.SHANKAR
*REVDAT 2 02-JAN-07 2H49 1 REMOVE NON ASCII IN THE FILE
*REVDAT 1 21-NOV-06 2H49 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
List of Distance and Dihedral Angle Restraints Used for Modeling.
Hydrogen bonds for the stem region
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
NOESY restraints from 100 ms spectrum at 25 C
Proton 1 Proton 2 Lower limit Upper limit NMR Distance
;
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
NOESY distance restraints from 200 ms 30 C spectrum
;
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
SNOESY distance restraints from 150 ms 15 C spectrum
;
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
Dihedral angle restraints
;
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2h49
_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
;
Summary of NOE distance restraints.
Residue Total Intra residue Inter residue
G1 9 3 6
G2 16 4 12
C3 16 5 11
U4 16 8 8
A5 16 7 9
A6 18 7 11
G7 18 3 15
A8 25 6 19
C9 18 7 11
G10 8 1 7
U11 21 6 15
C12 20 5 15
G13 19 9 10
A14 26 11 15
A15 19 5 14
G16 19 2 17
C17 16 5 11
C18 9 3 6
All restraints: 203
Intra residue: 97
Inter residue: 106
;
save_
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