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- PDB-1ixt: Structure of a Novel P-Superfamily Spasmodic Conotoxin Reveals an... -

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Basic information

Entry
Database: PDB / ID: 1ixt
TitleStructure of a Novel P-Superfamily Spasmodic Conotoxin Reveals an Inhibitory Cystine Knot Motif
Componentsspasmodic protein tx9a-like protein
KeywordsTOXIN / conotoxin / P-superfamily / ICK / inhibitory cystine knot / spasmodic / Conus gloriamaris / gm9a / gm9.1
Function / homologySpasmodic peptide gm9a / Spasmodic peptide gm9a; conotoxin from Conus species / toxin activity / extracellular region / Conotoxin Gm9.1
Function and homology information
MethodSOLUTION NMR / CNS, minimized in water
AuthorsMiles, L.A. / Dy, C.Y. / Nielsen, J. / Barnham, K.J. / Hinds, M.G. / Olivera, B.M. / Bulaj, G. / Norton, R.S.
CitationJournal: J.Biol.Chem. / Year: 2002
Title: Structure of a Novel P-Superfamily Spasmodic Conotoxin Reveals an Inhibitory Cystine Knot Motif
Authors: Miles, L.A. / Dy, C.Y. / Nielsen, J. / Barnham, K.J. / Hinds, M.G. / Olivera, B.M. / Bulaj, G. / Norton, R.S.
History
DepositionJul 4, 2002Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jan 28, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: spasmodic protein tx9a-like protein


Theoretical massNumber of molelcules
Total (without water)2,8081
Polymers2,8081
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 / 200back calculated data agree with experimental NOESY spectrum,structures with the least restraint violations,structures with the lowest energy
RepresentativeModel #1closest to the average

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Components

#1: Protein/peptide spasmodic protein tx9a-like protein


Mass: 2808.098 Da / Num. of mol.: 1 / Fragment: RESIDUES 1-27 / Source method: obtained synthetically
Details: The peptide was chemically synthesized. The sequence of the peptide is naturally found in Conus gloriamaris (Eukaryota).
References: UniProt: Q9GU57

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
121DQF-COSY
131E-COSY
141TOCSY

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Sample preparation

DetailsContents: gm9a peptide / Solvent system: 90% H20, 10% D20
Sample conditionsIonic strength: NA / pH: 5.5 / Pressure: 1 atmosphere / Temperature: 278 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 spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AMXBrukerAMX5001
Bruker DRXBrukerDRX6002

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Processing

NMR softwareName: XwinNMR / Version: 1.3 / Developer: Bruker / Classification: collection
RefinementMethod: CNS, minimized in water / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: back calculated data agree with experimental NOESY spectrum,structures with the least restraint violations,structures with the lowest energy
Conformers calculated total number: 200 / Conformers submitted total number: 20

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