NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
32785 |
1h0q   |
cing | 2-parsed | STAR | entry | full |
data_1h0q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h0q
_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_1h0q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h0q
_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 1h0q "Master copy" parsed_1h0q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h0q
_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 1h0q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1h0q 1
1 1h0q.mr . . AMBER 2 comment "Not applicable" "Not applicable" 0 parsed_1h0q 1
1 1h0q.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_1h0q 1
1 1h0q.mr . . AMBER 4 distance "hydrogen bond" simple 0 parsed_1h0q 1
1 1h0q.mr . . AMBER 5 distance NOE simple 0 parsed_1h0q 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_1h0q
_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/RNA HYBRID 27-JUN-02 1H0Q
*TITLE NMR SOLUTION STRUCTURE OF A FULLY MODIFIED LOCKED NUCLEIC
*TITLE 2 ACID (LNA) HYBRIDIZED TO RNA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5-D(*(LKC)P*(TLN)P*(LCG)P*(LCA)P*(TLN)P*(LCA)P*
*COMPND 3 (TLN)P*(LCG)P*(LCC))-3;
*COMPND 4 CHAIN: A;
*COMPND 5 OTHER_DETAILS: FULLY MODIFIED LNA STRAND;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: 5-R(*GP*CP*AP*UP*AP*UP*CP*AP*G)-3;
*COMPND 8 CHAIN: B
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS LNA, RNA, LOCKED NUCLEIC ACID, HYBRID, DNA/RNA HYBRID
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR J.RASMUSSEN,M.PETERSEN,K.E.NIELSEN,R.KUMAR,J.WENGEL,
*AUTHOR 2 J.P.JACOBSEN
*REVDAT 1 17-JUL-03 1H0Q 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1h0q
_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
;
#Ligger oveni H2O-signalet
# H8 DA 4 -- H3' DG 3: 3.304 5.770 2.466 110.803 d
#
# H6 DT 2 -- H3' DT 2: 2.407 4.450 2.043 89.654 d
# H5 RC 11 -- H8 RG5 10: 4.462 5.870 1.408 57.899 d
# H5'1 RG3 18 -- H3' RA 17: 4.384 5.760 1.376 56.278 d
# H8 DG 3 -- H3' DG 3: 2.771 4.090 1.319 53.454 d
# H2'1 RG5 10 -- H1' RG5 10: 2.722 3.910 1.188 46.913 d
# H5 RU 15 -- H8 RA 14: 4.057 5.010 0.953 35.147 d
#
#
;
save_
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