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 |
|
|
566637 |
2mce   |
19437 | cing | 2-parsed | STAR | entry | full | 20 |
data_2mce_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mce
_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_2mce 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mce
_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 2mce "Master copy" parsed_2mce
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mce
_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 2mce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mce 1
1 2mce.mr . . unknown 2 distance NOE simple 0 parsed_2mce 1
1 2mce.mr . . unknown 3 distance "hydrogen bond" simple 0 parsed_2mce 1
1 2mce.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2mce 1
1 2mce.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mce 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_2mce
_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 NEUROPEPTIDE 19-AUG-13 2MCE
*TITLE MEMBRANE INDUCED STRUCTURE OF THE MAMMALIAN TACHYKININ NEUROPEPTIDE
*TITLE 2 GAMMA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NEUROPEPTIDE GAMMA;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: NPGAMMA, PROTACHYKININ-1;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: CUSTOM SYNTHESIS OF PEPTIDE WITH >99% PURITY
*KEYWDS TACHYKININ, NK-2 SELECTIVE AGONISTS, NEUROPEPTIDE GAMMA, BIOACTIVE
*KEYWDS 2 PEPTIDE, PEPTIDE MEMBRANE INTERACTION, NEUROPEPTIDE
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR I.R.CHANDRASHEKAR, A.GANJIWALE, S.M.COWSIK
*REVDAT 1 25-SEP-13 2MCE 0
;
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mce
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 2 ALA . . . . . . . . . . . . . parsed_2mce 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 3 GLY . . . . . . . . . . . . . parsed_2mce 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 4 HIS . . . . . . . . . . . . . parsed_2mce 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 5 GLY . . . . . . . . . . . . . parsed_2mce 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 6 GLN . . . . . . . . . . . . . parsed_2mce 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 7 ILE . . . . . . . . . . . . . parsed_2mce 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 8 SER . . . . . . . . . . . . . parsed_2mce 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 9 HIS . . . . . . . . . . . . . parsed_2mce 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 10 LYS . . . . . . . . . . . . . parsed_2mce 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 11 ARG . . . . . . . . . . . . . parsed_2mce 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 12 HIS . . . . . . . . . . . . . parsed_2mce 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 13 LYS . . . . . . . . . . . . . parsed_2mce 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 14 THR . . . . . . . . . . . . . parsed_2mce 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 15 ASP . . . . . . . . . . . . . parsed_2mce 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 16 SER . . . . . . . . . . . . . parsed_2mce 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 17 PHE . . . . . . . . . . . . . parsed_2mce 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 18 VAL . . . . . . . . . . . . . parsed_2mce 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 19 GLY . . . . . . . . . . . . . parsed_2mce 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 20 LEU . . . . . . . . . . . . . parsed_2mce 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 21 MET . . . . . . . . . . . . . parsed_2mce 1
stop_
save_
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