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- PDB-1cnn: OMEGA-CONOTOXIN MVIIC FROM CONUS MAGUS -

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Basic information

Entry
Database: PDB / ID: 1cnn
TitleOMEGA-CONOTOXIN MVIIC FROM CONUS MAGUS
ComponentsOMEGA-CONOTOXIN MVIIC
KeywordsTOXIN / VOLTAGE-SENSITIVE CALCIUM CHANNEL ANTAGONIST / PEPTIDE HYBRIDS
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
MethodSOLUTION NMR / MOLECULAR DYNAMICS, SIMULATED ANNEALING
AuthorsNielsen, K.J. / Adams, D. / Thomas, L. / Bond, T. / Alewood, P.F. / Craik, D.J. / Lewis, R.J.
CitationJournal: J.Mol.Biol. / Year: 1999
Title: Structure-activity relationships of omega-conotoxins MVIIA, MVIIC and 14 loop splice hybrids at N and P/Q-type calcium channels.
Authors: Nielsen, K.J. / Adams, D. / Thomas, L. / Bond, T. / Alewood, P.F. / Craik, D.J. / Lewis, R.J.
History
DepositionMay 20, 1999Deposition site: BNL / Processing site: RCSB
Revision 1.0May 31, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 1.5Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: OMEGA-CONOTOXIN MVIIC


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_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)17 / 50LEAST RESTRAINT VIOLATION
RepresentativeModel #1

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Components

#1: Protein/peptide OMEGA-CONOTOXIN MVIIC / MVIIC


Mass: 2761.348 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN THE VENOM DUCT OF CONUS MAGUS (MAGUS CONE).
References: UniProt: P37300
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121DQF-COSY
131TOCSY
141E-COSY
NMR detailsText: THE STRUCTURE WAS DETERMINED BY HOMONUCLEAR NMR SPECTROSCOPY ON SYNTHETIC MVIIC

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Sample preparation

DetailsContents: 95% WATER/ 5% D2O
Sample conditionspH: 3.5 / Temperature: 293.00 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker ARX500BrukerARX5005001
Bruker DMX750BrukerDMX7507502

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR3.8BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: MOLECULAR DYNAMICS, SIMULATED ANNEALING / Software ordinal: 1
Details: REFINEMENT BASED ON CHARMM PARAMTERS, DETAILS IN JRNL CITATION ABOVE
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 50 / Conformers submitted total number: 17

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