Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568553 | 2m2q RC | 18926 | cing | 2-parsed | STAR | entry | full | 26 |
data_2m2q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m2q
_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_2m2q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m2q
_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 2m2q "Master copy" parsed_2m2q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m2q
_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 2m2q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m2q 1
1 2m2q.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_2m2q 1
1 2m2q.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_2m2q 1
1 2m2q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m2q 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_2m2q
_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 UNKNOWN FUNCTION 01-JAN-13 2M2Q
*TITLE SOLUTION STRUCTURE OF MCH-1: A NOVEL INHIBITOR CYSTINE KNOT PEPTIDE
*TITLE 2 FROM MOMORDICA CHARANTIA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: INHIBITOR CYSTINE KNOT PEPTIDE MCH-1;
*COMPND 3 CHAIN: A
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA
*KEYWDS CYSTINE KNOT, DISULFIDE-RICH PEPTIDES, MCH-1, OXIDATIVE REFOLDING,
*KEYWDS 2 SELECTIVE REDUCTION, UNKNOWN FUNCTION
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR W.HE, L.CHAN, R.J.CLARK, J.TANG, G.ZENG, O.L.FRANCO, C.CANTACESSI,
*AUTHOR 2 D.J.CRAIK, N.L.DALY, N.TAN
*REVDAT 1 06-NOV-13 2M2Q 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m2q
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -105 . . 32 VAL . . . . . . . . . . . . . parsed_2m2q 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 31 CYSS . . . . . . . . . . . . . parsed_2m2q 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 22 LEU . . . . . . . . . . . . . parsed_2m2q 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 20 PHE . . . . . . . . . . . . . parsed_2m2q 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 2 CYSS . . . . . . . . . . . . . parsed_2m2q 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 17 ALA . . . . . . . . . . . . . parsed_2m2q 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 16 ASP . . . . . . . . . . . . . parsed_2m2q 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 19 CYSS . . . . . . . . . . . . . parsed_2m2q 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 3 ALA . . . . . . . . . . . . . parsed_2m2q 1
10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 19 CYSS . . . . . . . . . . . . . parsed_2m2q 1
11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 15 CYSS . . . . . . . . . . . . . parsed_2m2q 1
12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 16 ASP . . . . . . . . . . . . . parsed_2m2q 1
13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 31 CYSS . . . . . . . . . . . . . parsed_2m2q 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 "13 ASP PHI 10 90" 6 1 6 18 parsed_2m2q 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m2q
_Torsion_angle_constraint_list.ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -105 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2m2q 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2m2q 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2m2q 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2m2q 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2m2q 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2m2q 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2m2q 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2m2q 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2m2q 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 18 . N . 19 . CA . 19 . CB . 19 . SG parsed_2m2q 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 . N . 15 . CA . 15 . CB . 15 . SG parsed_2m2q 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 18 . N . 19 . CA . 19 . CB . 19 . CG parsed_2m2q 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 30 . N . 31 . CA . 31 . CB . 31 . SG parsed_2m2q 2
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 "resid 32" 1 1 1 11 parsed_2m2q 2
2 "resid 31" 4 1 4 11 parsed_2m2q 2
3 "resid 22" 7 1 7 11 parsed_2m2q 2
4 "resid 20" 10 1 10 11 parsed_2m2q 2
5 "resid 2" 13 1 13 10 parsed_2m2q 2
6 "resid 17" 16 1 16 11 parsed_2m2q 2
7 "resid 16" 19 1 19 11 parsed_2m2q 2
8 "resid 19" 22 1 22 11 parsed_2m2q 2
9 "resid 3" 25 1 25 10 parsed_2m2q 2
10 "resid 19" 28 1 28 11 parsed_2m2q 2
11 "resid 15" 31 1 31 11 parsed_2m2q 2
12 "resid 16" 34 1 34 11 parsed_2m2q 2
13 "resid 31" 37 1 37 11 parsed_2m2q 2
stop_
save_