NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
37852 |
1qby   |
cing | 2-parsed | STAR | entry | full |
data_1qby_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qby
_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_1qby 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qby
_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 1qby "Master copy" parsed_1qby
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qby
_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 1qby.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qby 1
1 1qby.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1qby 1
1 1qby.mr . . XPLOR/CNS 3 "molecular system" "Not applicable" "Not applicable" 0 parsed_1qby 1
1 1qby.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1qby 1
1 1qby.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qby 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_1qby
_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 27-APR-99 1QBY
*TITLE THE SOLUTION STRUCTURE OF A BAY-REGION 1R-BENZ[A]ANTHRACENE
*TITLE 2 OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN
*TITLE 3 OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N- RAS CODON 61
*TITLE 4 SEQUENCE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 BIOLOGICAL_UNIT: MONOMER;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP* G)-3';
*COMPND 8 CHAIN: B;
*COMPND 9 ENGINEERED: YES;
*COMPND 10 BIOLOGICAL_UNIT: MONOMER
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES;
*SOURCE 5 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHESIZED BY CHEMICAL
*SOURCE 6 METHOD
*KEYWDS BENZ[A]ANTHRACENE-DNA DUPLEX, INTERCALATION
*EXPDTA NMR
*AUTHOR Z.LI, H.MAO, H.-Y.KIM, P.J.TAMURA, C.M.HARRIS, T.M.HARRIS,
*AUTHOR 2 M.P.STONE
*REVDAT 1 06-MAY-99 1QBY 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qby
_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
;
REMARKS Name: Zhijun Li
REMARKS E-mail Address: liz@ctrvax.vanderbilt.edu
REMARKS AutoDep ID number:
REMARKS FILENAME="topallhdg5.dna"
remark geometric energy function topology for distance geometry and
remark simulated annealing.
remark
remark history:
remark
remark The first version of this file is the fault of MP and LN remark (1984).
remark CHARGES DERIVED FROM toprna10/
remark H charges set to 0.035 and slack taken on C
remark SOME HINTS TAKEN FROM GELIN AND ROSSKY KARPLUS RAHMAN PAPER.
remark GROUPING REMOVED. (ONE GROUP/RESIDUE PUT BACK).
remark H-BOND CHARGES FOR R_DIEL & EPS=1.0
remark REDUCED PHOSPHATE CHARGES. CH-stretches and bends from
remark uracil normal mode fit.
remark Sugar dihedrals adapted from W.Olson JACS (1982)
remark planarity of hydrogens on bases is now maintained by impropers
remark instead of dihedrals, and all impropers governing the planes
remark have their force constants increased to 80 (G.M. CLORE
remark 16/5/85)
set echo=false end
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qby
_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
;
END
set echo=true end
;
save_
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