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 | subtype |
|
|
36842 |
1omn   |
cing | 2-parsed | STAR | entry | full |
data_1omn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1omn
_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_1omn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1omn
_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 1omn "Master copy" parsed_1omn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1omn
_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 1omn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . MARDIGRAS/CORMA 3 distance NOE simple 0 parsed_1omn 1
1 1omn.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . MARDIGRAS/CORMA 5 distance NOE simple 0 parsed_1omn 1
1 1omn.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . unknown 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . unknown 9 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . unknown 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1omn 1
1 1omn.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1omn 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_1omn
_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 NEUROTOXIN 20-DEC-94 1OMN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: OMEGA-CONOTOXIN M VII C (M SEVEN C);
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: SNX-230
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: CONUS MAGUS;
*SOURCE 3 ORGANISM_COMMON: MAGUS CONE;
*SOURCE 4 ORGAN: VENOM DUCT
*KEYWDS P-TYPE CALCIUM CHANNEL BLOCKER, CONUS VENOM, PRESYNAPTIC
*KEYWDS 2 NEUROTOXIN, CONOTOXIN
*EXPDTA NMR, 15 STRUCTURES
*AUTHOR S.FARR-JONES,V.J.BASUS
*REVDAT 1 01-DEC-95 1OMN 0
__________________________________________________________________
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1omn
_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
;
The following is a list of distance restraints used in the refinement.
The letter Q indicates that a pseudo atom is used since the stereochemical
assignment is not known. The letter M indicates a pseudoatom for a methyl
group. The position of the pseudoatom is the geometric
center of the two or three hydrogen atoms.
atom1 residue1 atom2 residue2 lower upper bound
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1omn
_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
;
These restraints are the "non-noe" restraints as
described in the manuscript.
;
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1omn
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
------------------------------------------------------------------
Angle constraints:
PHI ANGLE CONSTRAINTS:
The following residues had PHI constrained to -60 deg. +/- 50 degrees
Residue HA-HN Coupling Constant (Hz)
;
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1omn
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
The following residues had PHI constrained to -120 deg. +/- 50 deg.
;
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1omn
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
CHI-1 ANGLE CONSTRAINTS:
Where CHI-1 angles were determined, they were constrained into one
rotamer, with an allowed variation of +/- 30 deg.
For a definition of nomenclature for rotamer
description, see Methods in Enzymology, Vol. 177 (1989), Pg. 145.
Residue Rotamer
;
save_
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