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 | item_count |
|
|
52137 |
2kdq   |
cing | 2-parsed | STAR | dipolar coupling | 25 |
data_2kdq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kdq
_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_2kdq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kdq
_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 2kdq "Master copy" parsed_2kdq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kdq
_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 2kdq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 2 distance NOE simple 480 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 66 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 199 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 6 distance NOE simple 205 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 8 distance NOE simple 143 parsed_2kdq 1
1 2kdq.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 25 parsed_2kdq 1
1 2kdq.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kdq 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kdq
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 5.5 . . . . . 18 . C8 . 18 . H8 parsed_2kdq 1
2 . . . . . . . . . . . . . . . . -25.5 . . . . . 18 . C1' . 18 . H1' parsed_2kdq 1
3 . . . . . . . . . . . . . . . . -14.5 . . . . . 19 . C1' . 19 . H1' parsed_2kdq 1
4 . . . . . . . . . . . . . . . . 2.5 . . . . . 19 . C5 . 19 . H5 parsed_2kdq 1
5 . . . . . . . . . . . . . . . . 6.5 . . . . . 20 . C2 . 20 . H2 parsed_2kdq 1
6 . . . . . . . . . . . . . . . . 18.5 . . . . . 20 . C8 . 20 . H8 parsed_2kdq 1
7 . . . . . . . . . . . . . . . . 23.5 . . . . . 21 . C8 . 21 . H8 parsed_2kdq 1
8 . . . . . . . . . . . . . . . . 23.5 . . . . . 22 . C2 . 22 . H2 parsed_2kdq 1
9 . . . . . . . . . . . . . . . . 4.5 . . . . . 22 . C1' . 22 . H1' parsed_2kdq 1
10 . . . . . . . . . . . . . . . . 25 . . . . . 22 . C8 . 22 . H8 parsed_2kdq 1
11 . . . . . . . . . . . . . . . . 8 . . . . . 40 . C5 . 40 . H5 parsed_2kdq 1
12 . . . . . . . . . . . . . . . . 15.5 . . . . . 41 . C5 . 41 . H5 parsed_2kdq 1
13 . . . . . . . . . . . . . . . . 19.5 . . . . . 42 . C5 . 42 . H5 parsed_2kdq 1
14 . . . . . . . . . . . . . . . . 7.5 . . . . . 27 . C8 . 27 . H8 parsed_2kdq 1
15 . . . . . . . . . . . . . . . . 17.5 . . . . . 27 . C2 . 27 . H2 parsed_2kdq 1
16 . . . . . . . . . . . . . . . . -3 . . . . . 27 . C1' . 27 . H1' parsed_2kdq 1
17 . . . . . . . . . . . . . . . . -9.5 . . . . . 28 . C1' . 28 . H1' parsed_2kdq 1
18 . . . . . . . . . . . . . . . . 16.5 . . . . . 29 . C6 . 29 . H6 parsed_2kdq 1
19 . . . . . . . . . . . . . . . . -6.0 . . . . . 36 . C1' . 36 . H1' parsed_2kdq 1
20 . . . . . . . . . . . . . . . . 29 . . . . . 36 . C8 . 36 . H8 parsed_2kdq 1
21 . . . . . . . . . . . . . . . . -9 . . . . . 37 . C1' . 37 . H1' parsed_2kdq 1
22 . . . . . . . . . . . . . . . . -5.5 . . . . . 38 . C1' . 38 . H1' parsed_2kdq 1
23 . . . . . . . . . . . . . . . . 8.5 . . . . . 39 . C6 . 39 . H6 parsed_2kdq 1
24 . . . . . . . . . . . . . . . . 16 . . . . . 39 . C5 . 39 . H5 parsed_2kdq 1
25 . . . . . . . . . . . . . . . . -23 . . . . . 39 . C1' . 39 . H1' parsed_2kdq 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
RDC restraints
HIV TAR B-15 RDCs measured in aprox 12mg/ml phage
0.6 mM fully labeled sample, 10 mM K phosphate buffer
with 0.1 mM EDTA pH 6.6, Da/R -30 and 0.25
Good 1.6, Fair 2.0, Some OL 2.4
Lower stem
G18
;
1 1 8 5 parsed_2kdq 1
2 C19 23 1 23 5 parsed_2kdq 1
3 A20 38 1 38 5 parsed_2kdq 1
4 G21 53 1 53 5 parsed_2kdq 1
5 A22 61 1 61 5 parsed_2kdq 1
6 U40 83 1 83 5 parsed_2kdq 1
7 C41 91 1 91 5 parsed_2kdq 1
8 U42 99 1 99 5 parsed_2kdq 1
9
;
Upper stem
A27
;
107 1 109 5 parsed_2kdq 1
10 G28 132 1 132 5 parsed_2kdq 1
11 C29 141 1 141 5 parsed_2kdq 1
12 G36 149 1 149 5 parsed_2kdq 1
13 C37 164 1 164 5 parsed_2kdq 1
14 U38 172 1 172 5 parsed_2kdq 1
15 C39 180 1 180 5 parsed_2kdq 1
stop_
save_
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