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- PDB-1pav: SOLUTION NMR STRUCTURE OF HYPOTHETICAL PROTEIN TA1414 OF THERMOPL... -

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Entry
Database: PDB / ID: 1pav
TitleSOLUTION NMR STRUCTURE OF HYPOTHETICAL PROTEIN TA1414 OF THERMOPLASMA ACIDOPHILUM
ComponentsHypothetical protein Ta1170/Ta1414
KeywordsSTRUCTURAL GENOMICS / thermoplasma acidophilum / fast NMR / semiautomated analysis
Function / homologyTusA-like domain / Uncharacterized protein family UPF0033 signature. / TusA-like domain / Sulfurtransferase TusA / TusA-like domain superfamily / Translation Initiation Factor IF3 / 2-Layer Sandwich / Alpha Beta / Putative sulfur carrier protein Ta1170/Ta1414
Function and homology information
Biological speciesThermoplasma acidophilum (acidophilic)
MethodSOLUTION NMR / Initial manual assignment of unambiguous NOEs. Further assignment of spectra by NOAH routine at DYANA.
AuthorsMonleon, D. / Yee, A. / Liu, C.S. / Arrowsmith, C. / Celda, B.
CitationJournal: J.Biomol.Nmr / Year: 2004
Title: Solution structure of hypothetical protein TA1414 from Thermoplasma acidophilum.
Authors: Monleon, D. / Yee, A. / Liu, C.S. / Arrowsmith, C. / Celda, B.
History
DepositionMay 14, 2003Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 27, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 29, 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 1.4May 22, 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: Hypothetical protein Ta1170/Ta1414


Theoretical massNumber of molelcules
Total (without water)8,6951
Polymers8,6951
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)10 / 100structures with acceptable covalent geometry
RepresentativeModel #1closest to the average

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Components

#1: Protein Hypothetical protein Ta1170/Ta1414


Mass: 8695.097 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermoplasma acidophilum (acidophilic) / Gene: TA1170 AND TA1414 / Plasmid: PET15B / Production host: Escherichia coli (E. coli) / References: UniProt: Q9HI35

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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
1313D 13C-separated NOESY
NMR detailsText: structural genomics sample

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Sample preparation

DetailsContents: 2mM ta1414 U-15N,13C, 50mM phosphate buffer, pH 6.5
Solvent system: 95% H2O/5% D2O
Sample conditionspH: 6.5 / Pressure: 1 atm / Temperature: 298 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: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
DYANA1.5Guentert, P. et al.structure solution
XwinNMR3.1Bruker Biospinprocessing
Sparky3.9Goddard, T.data analysis
DYANA1.5Guentert, P. et al.refinement
RefinementMethod: Initial manual assignment of unambiguous NOEs. Further assignment of spectra by NOAH routine at DYANA.
Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with acceptable covalent geometry
Conformers calculated total number: 100 / Conformers submitted total number: 10

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