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- PDB-2a1c: Solution structure of CSP1 -

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Basic information

Entry
Database: PDB / ID: 2a1c
TitleSolution structure of CSP1
ComponentsCSP1
KeywordsHORMONE/GROWTH FACTOR / a-helix / HORMONE-GROWTH FACTOR COMPLEX
Function / homologyCompetence protein, ComC / COMC family / pheromone activity / establishment of competence for transformation / extracellular region / Competence-stimulating peptide type 1
Function and homology information
MethodSOLUTION NMR / torsion angle dynamics
AuthorsJohnsborg, O. / Kristiansen, P.E.
CitationJournal: To be Published
Title: A Hydrophobic Patch in the Pneumococcal Competence Pheromone CSP is Essential for Specificity and Biological Activity
Authors: Johnsborg, O. / Kristiansen, P.E.
History
DepositionJun 20, 2005Deposition site: RCSB / Processing site: PDBJ
Revision 1.0May 30, 2006Provider: repository / Type: Initial release
Revision 1.1Apr 30, 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
Revision 1.4May 29, 2024Group: 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: CSP1


Theoretical massNumber of molelcules
Total (without water)2,2491
Polymers2,2491
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 #1lowest energy

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Components

#1: Protein/peptide CSP1 / Competence stimulating peptide type 1


Mass: 2248.735 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: The peptide was chemically synthesized. This sequence occures naturally.
References: UniProt: P60243*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D TOCSY
1212D NOESY

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Sample preparation

DetailsContents: 1.9mM CSP1 0.1% TFA, 90% H2O, 10% D2O, 250mM D38 DPC
Solvent system: 90% H20, 10% D2O, 250mM D38 DPC
Sample conditionsIonic strength: 0 / pH: 5.2 / Pressure: ambient / Temperature: 301 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 800 MHz

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Processing

NMR software
NameVersionDeveloperClassification
NMRPipe2004Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J., Bax, A.processing
Sparky2004T. D. Goddard., D. G. Knellerdata analysis
CYANA2004Guntert, P., Mumenthaler, C., Wuthrich, K.refinement
TALOS2004Cornilescu, G., Delaglio, F., Bax, A.data analysis
RefinementMethod: torsion angle dynamics / 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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