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- PDB-2k24: Automated NMR Structure of the TA0956 by FAPSY -

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Basic information

Entry
Database: PDB / ID: 2k24
TitleAutomated NMR Structure of the TA0956 by FAPSY
ComponentsPutative uncharacterized protein Ta0956
KeywordsUNKNOWN FUNCTION / AUTOMATION / FAPSY / MOAD / MOLYBDOPTERIN
Function / homologyThermoplasma acidophilum protein TA0956 / Thermoplasma acidophilum protein TA0956 / TA0956 superfamily / Thermoplasma acidophilum protein TA0956 / Nucleotidyltransferase; domain 5 / 2-Layer Sandwich / Alpha Beta / Uncharacterized protein
Function and homology information
Biological speciesThermoplasma acidophilum (acidophilic)
MethodSOLUTION NMR / simulated annealing
AuthorsLee, W. / Jung, J. / Lee, W.
CitationJournal: To be Published
Title: Automated NMR Structure of the TA0956 by FAPSY
Authors: Lee, W. / Jung, J. / Lee, W.
History
DepositionMar 21, 2008Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Apr 7, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3May 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: Putative uncharacterized protein Ta0956


Theoretical massNumber of molelcules
Total (without water)12,5731
Polymers12,5731
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 / 200structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Putative uncharacterized protein Ta0956


Mass: 12572.511 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermoplasma acidophilum (acidophilic) / Gene: TA0895 / Plasmid: PET / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9HJL1

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1213D HNCA
1313D HN(CA)CB
1413D CBCA(CO)NH
1513D HNHA
1613D C(CO)NH
1713D 1H-13C NOESY
1813D 1H-15N NOESY
1913D (H)CCH-TOCSY

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Sample preparation

DetailsContents: 1.5mM [U-98% 13C; U-98% 15N] TA0956; 90% H2O/10% D2O
Solvent system: 90% H2O/10% D2O
SampleConc.: 1.5 mM / Component: TA0956 / Isotopic labeling: [U-98% 13C; U-98% 15N]
Sample conditionsIonic strength: 373.15 / pH: 6.5 / Pressure: ambient / Temperature: 298 K

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR softwareName: CYANA / Developer: Guntert, Mumenthaler and Wuthrich / Classification: refinement
RefinementMethod: simulated annealing / Software ordinal: 1
Details: AUTOMATED NMR STRUCTURES BY FAPSY WHICH IS AUTOMATED PROTEIN STRUCTURE DETERMINATION PROGRAM
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 200 / Conformers submitted total number: 20

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