NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
34098 |
1jdg   |
cing | 2-parsed | STAR | comment |
data_1jdg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jdg
_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_1jdg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jdg
_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 1jdg "Master copy" parsed_1jdg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jdg
_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 1jdg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jdg 1
1 1jdg.mr . . unknown 2 distance NOE simple 0 parsed_1jdg 1
1 1jdg.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jdg 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_1jdg
_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 13-JUN-01 1JDG
*TITLE SOLUTION STRUCTURE OF A TRANS-OPENED (10S)-DA ADDUCT OF (+)-
*TITLE 2 (7S,8R,9S,10R)-7,8-DIHYDROXY-9,10-EPOXY-7,8,9,10-
*TITLE 3 TETRAHYDROBENZO[A]PYRENE IN A FULLY COMPLEMENTARY DNA
*TITLE 4 DUPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS SYN GLYCOSIDIC TORSION ANGLE, BENZO[A]PYRENE DIOL EPOXIDE,
*KEYWDS 2 DA ADDUCT
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR P.PRADHAN, S.TIRUMALA, X.LIU, J.M.SAYER, D.M.JERINA,
*AUTHOR 2 H.J.C.YEH
*REVDAT 1 04-JUL-01 1JDG 0
Supporting Information for:
Solution Structure of a Trans-opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a Fully Complementary DNA Duplex: Evidence for a Major Syn Conformation
Padmanava Pradhan, Sampath Tirumala, Xiaohong Liu, Jane M. Sayer,
Donald M. Jerina, and Herman J. C. Yeh*
Table. NOE distance restraints used in structural calculations for the trans opened (10S)-DE1 dA adducted undecamer. The numbers indicate the lower and upper limits for the distance between atom 1 and atom 2.
Base 1: Atom 1 Base 2: Atom 2 Lower Upper
;
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 6:48:59 PM GMT (wattos1)