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 | item_count |
|
|
553245 |
2lzk   |
18762 | cing | 2-parsed | STAR | entry | full | 22 |
data_2lzk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lzk
_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_2lzk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lzk
_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 2lzk "Master copy" parsed_2lzk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lzk
_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 2lzk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lzk 1
1 2lzk.mr . . AMBER 2 distance NOE simple 22 parsed_2lzk 1
1 2lzk.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lzk 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_2lzk
_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 04-OCT-12 2LZK
*TITLE NMR SOLUTION STRUCTURE OF AN N2-GUANINE DNA ADDUCT DERIVED FROM THE
*TITLE 2 POTENT TUMORIGEN DIBENZO[A,L]PYRENE: INTERCALATION FROM THE MINOR
*TITLE 3 GROOVE WITH RUPTURED WATSON-CRICK BASE PAIRING
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3');
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*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 14R (+)-TRANS-ANTI-DB[A,L]P-N2-DG, DNA ADDUCT, DNA
*EXPDTA SOLUTION NMR
*NUMMDL 5
*AUTHOR Y.TANG, Z.LIU, S.DING, C.H.LIN, Y.CAI, F.A.RODRIGUEZ, J.M.SAYER,
*AUTHOR 2 D.M.JERINA, S.AMIN, S.BROYDE, N.E.GEACINTOV
*REVDAT 1 21-NOV-12 2LZK 0
;
save_
save_AMBER_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lzk
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2lzk 1
2 1 . . . parsed_2lzk 1
3 1 . . . parsed_2lzk 1
4 1 . . . parsed_2lzk 1
5 1 . . . parsed_2lzk 1
6 1 . . . parsed_2lzk 1
7 1 . . . parsed_2lzk 1
8 1 . . . parsed_2lzk 1
9 1 . . . parsed_2lzk 1
10 1 . . . parsed_2lzk 1
11 1 . . . parsed_2lzk 1
12 1 . . . parsed_2lzk 1
13 1 . . . parsed_2lzk 1
14 1 . . . parsed_2lzk 1
15 1 . . . parsed_2lzk 1
16 1 . . . parsed_2lzk 1
17 1 . . . parsed_2lzk 1
18 1 . . . parsed_2lzk 1
19 1 . . . parsed_2lzk 1
20 1 . . . parsed_2lzk 1
21 1 . . . parsed_2lzk 1
22 1 . . . parsed_2lzk 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H1 parsed_2lzk 1
1 1 2 . . . . . . . . 2lzk_ambr001 7 DC H1' parsed_2lzk 1
2 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H1 parsed_2lzk 1
2 1 2 . . . . . . . . 2lzk_ambr001 6 DG H1' parsed_2lzk 1
3 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H2 parsed_2lzk 1
3 1 2 . . . . . . . . 2lzk_ambr001 7 DC H1' parsed_2lzk 1
4 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H2 parsed_2lzk 1
4 1 2 . . . . . . . . 2lzk_ambr001 7 DC H6 parsed_2lzk 1
5 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H2 parsed_2lzk 1
5 1 2 . . . . . . . . 2lzk_ambr001 6 DG H1' parsed_2lzk 1
6 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H3 parsed_2lzk 1
6 1 2 . . . . . . . . 2lzk_ambr001 6 DG H2'' parsed_2lzk 1
7 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H7 parsed_2lzk 1
7 1 2 . . . . . . . . 2lzk_ambr002 5 DG H1' parsed_2lzk 1
8 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H7 parsed_2lzk 1
8 1 2 . . . . . . . . 2lzk_ambr002 5 DG H2' parsed_2lzk 1
9 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H8 parsed_2lzk 1
9 1 2 . . . . . . . . 2lzk_ambr002 5 DG H8 parsed_2lzk 1
10 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H8 parsed_2lzk 1
10 1 2 . . . . . . . . 2lzk_ambr002 5 DG H1' parsed_2lzk 1
11 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H8 parsed_2lzk 1
11 1 2 . . . . . . . . 2lzk_ambr002 5 DG H2' parsed_2lzk 1
12 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H9 parsed_2lzk 1
12 1 2 . . . . . . . . 2lzk_ambr002 5 DG H8 parsed_2lzk 1
13 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H9 parsed_2lzk 1
13 1 2 . . . . . . . . 2lzk_ambr002 5 DG H2' parsed_2lzk 1
14 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H9 parsed_2lzk 1
14 1 2 . . . . . . . . 2lzk_ambr002 5 DG H2'' parsed_2lzk 1
15 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H9 parsed_2lzk 1
15 1 2 . . . . . . . . 2lzk_ambr002 5 DG H3' parsed_2lzk 1
16 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H14 parsed_2lzk 1
16 1 2 . . . . . . . . 2lzk_ambr001 7 DC H1' parsed_2lzk 1
17 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H7 parsed_2lzk 1
17 1 2 . . . . . . . . 2lzk_ambr002 5 DG H8 parsed_2lzk 1
18 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H8 parsed_2lzk 1
18 1 2 . . . . . . . . 2lzk_ambr002 5 DG H2'' parsed_2lzk 1
19 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H9 parsed_2lzk 1
19 1 2 . . . . . . . . 2lzk_ambr002 5 DG H1' parsed_2lzk 1
20 1 1 . . . . . . . . 2lzk_ambr003 1 DBP H10 parsed_2lzk 1
20 1 2 . . . . . . . . 2lzk_ambr002 5 DG H1' parsed_2lzk 1
21 1 1 . . . . . . . . 2lzk_ambr001 6 DG H1 parsed_2lzk 1
21 1 2 . . . . . . . . 2lzk_ambr002 6 DC H41 parsed_2lzk 1
22 1 1 . . . . . . . . 2lzk_ambr001 6 DG H1 parsed_2lzk 1
22 1 2 . . . . . . . . 2lzk_ambr002 6 DC H42 parsed_2lzk 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
2 1 . . . . . 4.50 3.50 5.00 parsed_2lzk 1
3 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
4 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
5 1 . . . . . 3.00 2.50 3.50 parsed_2lzk 1
6 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
7 1 . . . . . 5.00 4.00 5.50 parsed_2lzk 1
8 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
9 1 . . . . . 4.00 3.00 4.50 parsed_2lzk 1
10 1 . . . . . 4.00 3.00 4.50 parsed_2lzk 1
11 1 . . . . . 4.00 3.00 4.50 parsed_2lzk 1
12 1 . . . . . 5.00 4.00 5.50 parsed_2lzk 1
13 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
14 1 . . . . . 5.00 4.00 5.50 parsed_2lzk 1
15 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
16 1 . . . . . 6.50 5.00 7.00 parsed_2lzk 1
17 1 . . . . . 5.00 4.00 5.50 parsed_2lzk 1
18 1 . . . . . 4.00 3.00 4.50 parsed_2lzk 1
19 1 . . . . . 5.00 4.00 5.50 parsed_2lzk 1
20 1 . . . . . 4.00 3.00 4.50 parsed_2lzk 1
21 1 . . . . . 4.50 4.00 5.00 parsed_2lzk 1
22 1 . . . . . 7.50 4.00 8.00 parsed_2lzk 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "23 DBP H1 7 DC H1' 5.0 6.5" 1 1 2 52 parsed_2lzk 1
2 "23 DBP H1 6 DG H1' 3.5 4.5" 7 1 8 52 parsed_2lzk 1
3 "23 DBP H2 7 DC H1' 5.0 6.5" 11 1 12 52 parsed_2lzk 1
4 "23 DBP H2 7 DC H6 5.0 6.5" 15 1 16 52 parsed_2lzk 1
5 "23 DBP H2 6 DG H1' 2.5 3.0" 19 1 20 52 parsed_2lzk 1
6 "23 DBP H3 6 DG H2'' 5.0 6.5" 23 1 24 52 parsed_2lzk 1
7 "23 DBP H7 16 DG H1' 4.0 5.0" 27 1 28 52 parsed_2lzk 1
8 "23 DBP H7 16 DG H2' 5.0 6.5" 31 1 32 52 parsed_2lzk 1
9 "23 DBP H8 16 DG H8 3.0 4.0" 35 1 36 52 parsed_2lzk 1
10 "23 DBP H8 16 DG H1' 3.0 4.0" 39 1 40 52 parsed_2lzk 1
11 "23 DBP H8 16 DG H2' 3.0 4.0" 43 1 44 52 parsed_2lzk 1
12 "23 DBP H9 16 DG H8 4.0 5.0" 47 1 48 52 parsed_2lzk 1
13 "23 DBP H9 16 DG H2' 5.0 6.5" 51 1 52 52 parsed_2lzk 1
14 "23 DBP H9 16 DG H2'' 4.0 5.0" 55 1 56 52 parsed_2lzk 1
15 "23 DBP H9 16 DG H3' 5.0 6.5" 59 1 60 52 parsed_2lzk 1
16 "23 DBP H14 7 DC H1' 5.0 6.5" 63 1 64 52 parsed_2lzk 1
17 "23 DBP H7 16 DG H8 4.0 5.0" 67 1 68 52 parsed_2lzk 1
18 "23 DBP H8 16 DG H2'' 3.0 4.0" 73 1 74 52 parsed_2lzk 1
19 "23 DBP H9 16 DG H1' 4.0 5.0" 77 1 78 52 parsed_2lzk 1
20 "23 DBP H10 16 DG H1' 3.0 4.0" 81 1 82 52 parsed_2lzk 1
21 "6 DG H1 17 DC H41 4.0 4.5" 85 1 86 50 parsed_2lzk 1
22 "6 DG H1 17 DC H42 4.0 7.5" 91 1 92 50 parsed_2lzk 1
stop_
save_
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