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- PDB-2jus: alpha RgIA, a Novel Conotoxin that Blocks the alpha9-alpha10 nAChR -

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Basic information

Entry
Database: PDB / ID: 2jus
Titlealpha RgIA, a Novel Conotoxin that Blocks the alpha9-alpha10 nAChR
ComponentsAlpha-conotoxin RgIA
KeywordsSIGNALING PROTEIN INHIBITOR / TOXIN / two-loop backbone architecture / disulfide bond
Function / homologyConotoxin, alpha-type, conserved site / Alpha-conotoxin family signature. / host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region / Alpha-conotoxin RgIA
Function and homology information
MethodSOLUTION NMR / simulated annealing
Model detailsrelated to 15367,15368 and 15435
AuthorsFeng, Z. / Ellison, M.
CitationJournal: J.Mol.Biol. / Year: 2008
Title: Alpha-RgIA, a novel conotoxin that blocks the alpha9alpha10 nAChR: structure and identification of key receptor-binding residues.
Authors: Ellison, M. / Feng, Z.P. / Park, A.J. / Zhang, X. / Olivera, B.M. / McIntosh, J.M. / Norton, R.S.
History
DepositionSep 2, 2007Deposition site: BMRB / Processing site: RCSB
Revision 1.0May 25, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Oct 20, 2021Group: Data collection / Database references
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Alpha-conotoxin RgIA


Theoretical massNumber of molelcules
Total (without water)1,6021
Polymers1,6021
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 100structures with the lowest energy
RepresentativeModel #20lowest energy

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Components

#1: Protein/peptide Alpha-conotoxin RgIA / alpha-RgIA


Mass: 1601.904 Da / Num. of mol.: 1 / Fragment: residues 20-32 / Mutation: Y10W / Source method: obtained synthetically
Details: sequence occurs naturally in Conus regius (Crown cone)
References: UniProt: P0C1D0

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1212D 1H-1H TOCSY
1312D DQF-COSY
1412D 1H-1H NOESY
1512D 1H-13C HSQC

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Sample preparation

DetailsContents: 2.0 mM toxin, 95% H2O/5% D2O / Solvent system: 95% H2O/5% D2O
SampleConc.: 2.0 mM / Component: toxin
Sample conditionspH: 4.45 / Temperature: 298 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker DRXBrukerDRX6001
Bruker AvanceBrukerAVANCE5002

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Processing

NMR softwareName: X-PLOR NIH / Developer: Schwieters, Kuszewski, Tjandra and Clore / Classification: refinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20

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