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- PDB-1omn: SOLUTION STRUCTURE OF OMEGA-CONOTOXIN MVIIC, A HIGH AFFINITY OF P... -

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Entry
Database: PDB / ID: 1omn
TitleSOLUTION STRUCTURE OF OMEGA-CONOTOXIN MVIIC, A HIGH AFFINITY OF P-TYPE CALCIUM CHANNELS, USING 1H NMR SPECTROSCOPY AND COMPLETE RELAXATION MATRIX ANALYSIS
ComponentsOMEGA-CONOTOXIN M VII C (M SEVEN C)
KeywordsNEUROTOXIN / P-TYPE CALCIUM CHANNEL BLOCKER / CONUS VENOM / PRESYNAPTIC NEUROTOXIN / CONOTOXIN
Function / homologyConotoxin, omega-type, conserved site / Omega-conotoxin family signature. / host cell presynaptic membrane / ion channel inhibitor activity / calcium channel regulator activity / toxin activity / extracellular region / Omega-conotoxin MVIIC
Function and homology information
Biological speciesConus magus (magus cone)
MethodSOLUTION NMR
AuthorsFarr-Jones, S. / Basus, V.J.
Citation
Journal: J.Mol.Biol. / Year: 1995
Title: Solution structure of omega-conotoxin MVIIC, a high affinity ligand of P-type calcium channels, using 1H NMR spectroscopy and complete relaxation matrix analysis.
Authors: Farr-Jones, S. / Miljanich, G.P. / Nadasdi, L. / Ramachandran, J. / Basus, V.J.
#1: Journal: Neuron / Year: 1992
Title: A New Conus Peptide Ligand for Mammalian Presynaptic Ca2+ Channels
Authors: Hillyard, D.R. / Monje, V.D. / Mintz, I.M. / Cruz, L.J. / Imperial, J.S. / Olivera, B.M.
History
DepositionDec 20, 1994Processing site: BNL
Revision 1.0Dec 1, 1995Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 29, 2017Group: Derived calculations / Other
Category: pdbx_database_status / pdbx_struct_assembly ...pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conf / struct_conf_type
Item: _pdbx_database_status.process_site
Revision 1.4Oct 23, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_nmr_software / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: OMEGA-CONOTOXIN M VII C (M SEVEN C)


Theoretical massNumber of molelcules
Total (without water)2,7611
Polymers2,7611
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
Atom site foot note1: LYS 2 - GLY 3 MODEL 1 OMEGA = 148.91 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
2: GLY 3 - LYS 4 MODEL 1 OMEGA = 210.78 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
3: LYS 25 - CYS 26 MODEL 1 OMEGA = 210.64 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
4: CYS 1 - LYS 2 MODEL 2 OMEGA = 210.60 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
5: ARG 9 - LYS 10 MODEL 2 OMEGA = 210.11 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
6: CYS 16 - SER 17 MODEL 2 OMEGA = 210.32 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
7: GLY 18 - SER 19 MODEL 2 OMEGA = 210.06 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
8: LYS 4 - GLY 5 MODEL 3 OMEGA = 210.33 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
9: ARG 9 - LYS 10 MODEL 3 OMEGA = 210.47 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
10: MET 12 - TYR 13 MODEL 3 OMEGA = 149.80 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
11: CYS 16 - SER 17 MODEL 3 OMEGA = 210.90 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
12: GLY 18 - SER 19 MODEL 3 OMEGA = 210.74 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
13: LYS 2 - GLY 3 MODEL 4 OMEGA = 149.39 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
14: GLY 3 - LYS 4 MODEL 4 OMEGA = 210.17 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
15: LYS 25 - CYS 26 MODEL 4 OMEGA = 210.88 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
16: GLY 3 - LYS 4 MODEL 5 OMEGA = 210.46 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
17: ARG 9 - LYS 10 MODEL 5 OMEGA = 210.13 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
18: GLY 18 - SER 19 MODEL 5 OMEGA = 210.07 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
19: LYS 25 - CYS 26 MODEL 5 OMEGA = 211.17 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
20: LYS 2 - GLY 3 MODEL 6 OMEGA = 149.18 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
21: CYS 1 - LYS 2 MODEL 7 OMEGA = 210.47 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
22: LYS 2 - GLY 3 MODEL 7 OMEGA = 148.72 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
23: GLY 3 - LYS 4 MODEL 7 OMEGA = 210.60 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
24: ARG 9 - LYS 10 MODEL 7 OMEGA = 210.28 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
25: CYS 16 - SER 17 MODEL 7 OMEGA = 210.33 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
26: LYS 25 - CYS 26 MODEL 7 OMEGA = 211.16 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
27: LYS 2 - GLY 3 MODEL 8 OMEGA = 149.60 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
28: CYS 16 - SER 17 MODEL 8 OMEGA = 210.08 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
29: ARG 9 - LYS 10 MODEL 9 OMEGA = 210.31 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
30: CYS 16 - SER 17 MODEL 9 OMEGA = 210.41 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
31: CYS 1 - LYS 2 MODEL 10 OMEGA = 210.21 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
32: LYS 2 - GLY 3 MODEL 10 OMEGA = 148.67 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
33: GLY 3 - LYS 4 MODEL 10 OMEGA = 210.30 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
34: ARG 9 - LYS 10 MODEL 10 OMEGA = 210.46 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
35: CYS 20 - GLY 21 MODEL 10 OMEGA = 210.21 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
36: LYS 25 - CYS 26 MODEL 10 OMEGA = 210.35 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
37: LYS 2 - GLY 3 MODEL 11 OMEGA = 149.99 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
38: SER 17 - GLY 18 MODEL 11 OMEGA = 210.04 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
39: ARG 9 - LYS 10 MODEL 12 OMEGA = 210.13 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
40: LYS 25 - CYS 26 MODEL 12 OMEGA = 211.32 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
41: LYS 2 - GLY 3 MODEL 13 OMEGA = 149.83 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
42: GLY 3 - LYS 4 MODEL 13 OMEGA = 210.39 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
43: ARG 9 - LYS 10 MODEL 13 OMEGA = 210.20 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
44: LYS 25 - CYS 26 MODEL 13 OMEGA = 210.60 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
45: ARG 9 - LYS 10 MODEL 14 OMEGA = 210.52 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
46: ASP 14 - CYS 15 MODEL 14 OMEGA = 210.33 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
47: CYS 16 - SER 17 MODEL 15 OMEGA = 210.45 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)15 / -
Representative

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Components

#1: Protein/peptide OMEGA-CONOTOXIN M VII C (M SEVEN C) / SNX-230


Mass: 2761.348 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Conus magus (magus cone) / Organ: VENOM DUCT / References: UniProt: P37300
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other

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Processing

SoftwareName: AMBER / Classification: refinement
NMR softwareName: Amber / Version: 4.1
Developer: PEARLMAN,CASE,CALDWELL,SEIBEL,SINGH,WEINER,KOLLMAN
Classification: refinement
NMR ensembleConformers submitted total number: 15

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