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- PDB-1pqr: Solution Conformation of alphaA-Conotoxin EIVA -

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Basic information

Entry
Database: PDB / ID: 1pqr
TitleSolution Conformation of alphaA-Conotoxin EIVA
ComponentsAlpha-A-conotoxin EIVA
KeywordsTOXIN / Alpha-HELIX / TWO DISULFIDE BONDS / C-TERM AMIDATION
Function / homologyAlpha-A conotoxin PIVA-like / Alpha-A conotoxin PIVA-like protein / host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / : / toxin activity / extracellular region / Alpha-conotoxin EIVA
Function and homology information
MethodSOLUTION NMR / distance geometry, molecular dynamics
AuthorsChi, S.-W. / Park, K.-H. / Suk, J.-E. / Olivera, B.M. / McIntosh, J.M. / Han, K.-H.
CitationJournal: J.Biol.Chem. / Year: 2003
Title: Solution Conformation of alphaA-conotoxin EIVA, a Potent Neuromuscular Nicotinic Acetylcholine Receptor Antagonist from Conus ermineus
Authors: Chi, S.-W. / Park, K.-H. / Suk, J.-E. / Olivera, B.M. / McIntosh, J.M. / Han, K.-H.
History
DepositionJun 18, 2003Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Nov 4, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 29, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_ref_seq_dif / 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_ref_seq_dif.details / _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: Alpha-A-conotoxin EIVA


Theoretical massNumber of molelcules
Total (without water)3,1051
Polymers3,1051
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)18 / 50back calculated data agree with experimental NOESY spectrum
RepresentativeModel #5closest to the average

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Components

#1: Protein/peptide Alpha-A-conotoxin EIVA


Mass: 3105.495 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: This sequence occurs naturally in Conus ermineus venom.
References: UniProt: P58782

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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
141PE-COSY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 5mM alpha-A-conotoxin EIVA / Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 0.01 / pH: 3.6 / Pressure: 1 atm / Temperature: 288 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameVersionClassification
VNMR6.1Bcollection
Felix98processing
Discover2.98refinement
RefinementMethod: distance geometry, molecular dynamics / Software ordinal: 1
Details: The structures are based on a total of 388 NOE-derived distance constraints, 11 dihedral angle restraints
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: back calculated data agree with experimental NOESY spectrum
Conformers calculated total number: 50 / Conformers submitted total number: 18

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