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- PDB-1ttl: Omega-conotoxin GVIA, a N-type calcium channel blocker -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 1ttl
TitleOmega-conotoxin GVIA, a N-type calcium channel blocker
ComponentsOmega-conotoxin GVIAConotoxin
KeywordsTOXIN / Disulfide rich / four loop framework / amidated C-terminal
Function / homology
Function and homology information


host cell presynaptic membrane / ion channel inhibitor activity / calcium channel regulator activity / toxin activity / extracellular region
Similarity search - Function
Conotoxin, omega-type, conserved site / Omega-conotoxin family signature. / Conotoxin / Conotoxin
Similarity search - Domain/homology
Omega-conotoxin GVIA
Similarity search - Component
Biological speciesConus geographus (geography cone)
MethodSOLUTION NMR / Solution structures were calculated using torsion angle dynamics, simulated annealing protocols
AuthorsMould, J. / Yasuda, T. / Schroeder, C.I. / Beedle, A.M. / Doering, C.J. / Zamponi, G.W. / Adams, D.J. / Lewis, R.J.
CitationJournal: J.Biol.Chem. / Year: 2004
Title: The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
Authors: Mould, J. / Yasuda, T. / Schroeder, C.I. / Beedle, A.M. / Doering, C.J. / Zamponi, G.W. / Adams, D.J. / Lewis, R.J.
History
DepositionJun 23, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 13, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Omega-conotoxin GVIA


Theoretical massNumber of molelcules
Total (without water)3,0461
Polymers3,0461
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 50structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Omega-conotoxin GVIA / Conotoxin


Mass: 3046.424 Da / Num. of mol.: 1 / Fragment: GVIC / Source method: isolated from a natural source / Source: (natural) Conus geographus (geography cone) / Secretion: venom / References: UniProt: P01522

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1212D TOCSY
131DQF-COSY
1422D NOESY
1522D TOCSY
162E-COSY
2112D NOESY
2212D TOCSY
231DQF-COSY
2422D NOESY
2522D TOCSY
262E-COSY
NMR detailsText: This structure was determined using standard 2D homonuclear NMR techniques.

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Sample preparation

Details
Solution-IDContentsSolvent system
12 mM GVIA, DSS95% H2O/5% D2O
22 mM GVIA100% D2O
Sample conditions
Conditions-IDpHPressure (kPa)Temperature (K)
13.5 1 atm293 K
23.5 1 atm275 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthRelative weight: 1
NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AMXBrukerAMX7501
Bruker DRXBrukerDRX5002

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Processing

NMR software
NameVersionClassification
XWINNMR3.5collection
X-PLOR3.851structure solution
X-PLOR3.851refinement
RefinementMethod: Solution structures were calculated using torsion angle dynamics, simulated annealing protocols
Software ordinal: 1
Details: A total of 533 distance restraints (including H-bonds) and 31 dihedral angle restraints (including 16 phi and 15 chi) were used to calculate these structures.
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 50 / Conformers submitted total number: 20

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