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- PDB-4csq: NMR solution structure of PA3793 from Pseudomonas aeruginosa -

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Basic information

Entry
Database: PDB / ID: 4csq
TitleNMR solution structure of PA3793 from Pseudomonas aeruginosa
ComponentsUNCHARACTERIZED PROTEIN
KeywordsSTRUCTURAL PROTEIN / PUTATIVE PROTEIN / PH-FOLD
Function / homologyPH-domain like - #190 / Protein of unknown function DUF5629 / Family of unknown function (DUF5629) / PH-domain like / Roll / Mainly Beta / : / DUF5629 domain-containing protein
Function and homology information
Biological speciesPSEUDOMONAS AERUGINOSA (bacteria)
MethodSOLUTION NMR / CYANA-3
AuthorsMayzel, M. / Schnell, R. / Schneider, G. / Karlsson, B.G.
CitationJournal: To be Published
Title: NMR Solution Structure of Pa3793 from Pseudomonas
Authors: Schneider, G. / Schnell, R. / Mayzel, M. / Karlsson, B.G.
History
DepositionMar 9, 2014Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 30, 2014Provider: repository / Type: Initial release
Revision 1.1May 7, 2014Group: Atomic model
Revision 1.2May 28, 2014Group: Source and taxonomy
Revision 1.3Jun 14, 2023Group: Data collection / Database references / Other
Category: database_2 / pdbx_database_status / pdbx_nmr_software
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_cs / _pdbx_database_status.status_code_mr / _pdbx_database_status.status_code_nmr_data / _pdbx_nmr_software.name
Revision 1.4Jun 19, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 / Item: _database_2.pdbx_DOI

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: UNCHARACTERIZED PROTEIN


Theoretical massNumber of molelcules
Total (without water)12,7511
Polymers12,7511
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPQS
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)22 / 100target function
Representative

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Components

#1: Protein UNCHARACTERIZED PROTEIN


Mass: 12750.797 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: B7UXH5, UniProt: Q9HXK4*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
11115NNOESY
12115NHSQC
131BACKBONE EXPS
24213C NOESY
3532D NOESY
3632D TOCSY
NMR detailsText: NONE

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Sample preparation

Details
Solution-IDContents
190% H2O 10% D2O
2100% D2O
3100% D2O
Sample conditions
Conditions-IDIonic strengthpHPressure (kPa)Temperature (K)
170 mM61.0 atm298.0 K
270 mM61.0 atm298.0 K
370 mM61.0 atm298.0 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 900 MHz

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Processing

NMR software
NameDeveloperClassification
CNSAART J. NEDERVEEN, JURGEN F. DORELEIJERS, WIM VRANKEN, ZACHARY MILLER, CHRIS A.E.M. SPRONK, Srefinement
CcpNmr Analysisstructure solution
RefinementMethod: CYANA-3 / Software ordinal: 1
Details: REFINEMENT DONE USING RECOORD SCRIPTS FROM ABOVE REFERENCE.
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 22

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