NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
42026 |
1xv3   |
6388 | cing | 2-parsed | STAR | entry | full | 25 |
data_1xv3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1xv3
_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_1xv3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1xv3
_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 1xv3 "Master copy" parsed_1xv3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1xv3
_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 1xv3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1xv3 1
1 1xv3.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1xv3 1
1 1xv3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 25 parsed_1xv3 1
1 1xv3.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1xv3 1
1 1xv3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1xv3 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_1xv3
_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 ANTIBIOTIC 27-OCT-04 1XV3
*TITLE NMR STRUCTURE OF THE SYNTHETIC PENAEIDIN 4
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PENAEIDIN-4D;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: PEN-4D;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE MOLECULE HAS BEEN SYNTHESIZED BY USING
*SOURCE 4 THE NATIVE LIGATION METHODOLOGY
*KEYWDS ANTIMICROBIAL PEPTIDE, ANTIFUNGAL PEPTIDE, CYSTEINE-RICH,
*KEYWDS 2 DISULFIDE BOND, NMR, OXIDATIVE FOLDING, PENAEIDIN, PROLINE-
*KEYWDS 3 RICH, SHRIMP
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR B.CUTHBERTSON, Y.YANG, E.BULLESBACH, E.BACHERE, P.GROSS,
*AUTHOR 2 A.AUMELAS
*REVDAT 1 15-FEB-05 1XV3 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1xv3
_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
;
Entry H atom name Submitted Coord H atom name
REStraints DIHEdral reset
;
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1xv3
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1xv3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1xv3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1xv3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1xv3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1xv3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1xv3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1xv3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1xv3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg1 parsed_1xv3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 38 . n . 38 . ca . 38 . cb . 38 . sg parsed_1xv3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . n . 44 . ca . 44 . cb . 44 . sg parsed_1xv3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 45 . n . 45 . ca . 45 . cb . 45 . sg parsed_1xv3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1xv3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . n . 26 . ca . 26 . cb . 26 . sg parsed_1xv3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 23 . n . 23 . ca . 23 . cb . 23 . sg parsed_1xv3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1xv3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 40 . n . 40 . ca . 40 . cb . 40 . cg parsed_1xv3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg2 parsed_1xv3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg1 parsed_1xv3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 37 . n . 37 . ca . 37 . cb . 37 . sg parsed_1xv3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 23 . n . 23 . ca . 23 . cb . 23 . sg parsed_1xv3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 130.0 . . 38 . cb . 38 . sg . 45 . sg . 45 . cb parsed_1xv3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 23 . cb . 23 . sg . 37 . sg . 37 . cb parsed_1xv3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 26 . cb . 26 . sg . 44 . sg . 44 . cb parsed_1xv3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1xv3 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "! 32" 1 1 1 8 parsed_1xv3 1
2 "! 33" 4 1 4 8 parsed_1xv3 1
3 "! 34" 7 1 7 8 parsed_1xv3 1
4 "! 35" 10 1 10 8 parsed_1xv3 1
5 "! 36" 13 1 13 8 parsed_1xv3 1
6 "! 37" 16 1 16 8 parsed_1xv3 1
7 "! 38" 19 1 19 8 parsed_1xv3 1
8 "! 39" 22 1 22 8 parsed_1xv3 1
9 !25 25 1 25 5 parsed_1xv3 1
10 !38 28 1 28 5 parsed_1xv3 1
11 !44 31 1 31 5 parsed_1xv3 1
12 !45 34 1 34 5 parsed_1xv3 1
13 !43 37 1 37 5 parsed_1xv3 1
14 !26 40 1 40 5 parsed_1xv3 1
15 !23 43 1 43 5 parsed_1xv3 1
16 !41 46 1 46 5 parsed_1xv3 1
17 !40 49 1 49 5 parsed_1xv3 1
18 !33 52 1 52 5 parsed_1xv3 1
19 !29 55 1 55 5 parsed_1xv3 1
20 !37 58 1 58 5 parsed_1xv3 1
21 !23 61 1 61 5 parsed_1xv3 1
22 !38-45 64 1 64 8 parsed_1xv3 1
23 !37-23 67 1 67 8 parsed_1xv3 1
24 !44-26 70 1 70 8 parsed_1xv3 1
25 !27 73 1 73 5 parsed_1xv3 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1xv3
_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
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:53:05 AM GMT (wattos1)