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- PDB-2gvs: NMR solution structure of CSPsg4 -

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Basic information

Entry
Database: PDB / ID: 2gvs
TitleNMR solution structure of CSPsg4
Componentschemosensory protein CSP-sg4
KeywordsLIPID BINDING PROTEIN / alpha-coil
Function / homologyAntennal chemosensory protein a6 / Insect odorant-binding protein A10/Ejaculatory bulb-specific protein 3 / Insect odorant-binding protein A10/Ejaculatory bulb-specific protein 3 / Insect odorant-binding protein A10/Ejaculatory bulb-specific protein 3 superfamily / Insect pheromone-binding family, A10/OS-D / Orthogonal Bundle / Mainly Alpha / Chemosensory protein CSP-sg4
Function and homology information
Biological speciesSchistocerca gregaria (desert locust)
MethodSOLUTION NMR / simulated annealing
AuthorsTomaselli, S. / Crescenzi, O. / Sanfelice, D. / Ab, E. / Tancredi, T. / Picone, D.
CitationJournal: Biochemistry / Year: 2006
Title: Solution Structure of a Chemosensory Protein from the Desert Locust Schistocerca gregaria(,).
Authors: Tomaselli, S. / Crescenzi, O. / Sanfelice, D. / Ab, E. / Wechselberger, R. / Angeli, S. / Scaloni, A. / Boelens, R. / Tancredi, T. / Pelosi, P. / Picone, D.
History
DepositionMay 3, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 12, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 9, 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: chemosensory protein CSP-sg4


Theoretical massNumber of molelcules
Total (without water)12,6971
Polymers12,6971
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)20 / 100structures with the lowest energy
RepresentativeModel #1closest to the average

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Components

#1: Protein chemosensory protein CSP-sg4


Mass: 12697.210 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Schistocerca gregaria (desert locust) / Plasmid: pET-Schi 10 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: O76476

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1113D 13C-separated NOESY
1213D 15N-separated NOESY

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Sample preparation

DetailsContents: 50mM Sodium phosphate buffer, 95% H2O, 5% D2O / Solvent system: 95% H2O/5% D2O
Sample conditionsIonic strength: 50 mm Na Phosphate buffer / pH: 6.8 / Pressure: ambient / Temperature: 300 K

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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 DRXBrukerDRX5001
Bruker DRXBrukerDRX6002
Bruker DRXBrukerDRX7503

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR3.5collection
NMRPipelinuxDelaglio et al.processing
NMRView5.0.4Johnson et al.data analysis
CYANA2structure solution
Amber99refinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20

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