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- PDB-1ti3: Solution structure of the Thioredoxin h1 from poplar, a CPPC acti... -

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Basic information

Entry
Database: PDB / ID: 1ti3
TitleSolution structure of the Thioredoxin h1 from poplar, a CPPC active site variant
Componentsthioredoxin H
KeywordsOXIDOREDUCTASE / thioredoxin
Function / homology
Function and homology information


Thioredoxin / Thioredoxin, conserved site / Thioredoxin family active site. / Thioredoxin domain profile. / Thioredoxin domain / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Biological speciesPopulus tremula (European aspen)
MethodSOLUTION NMR
AuthorsCoudevylle, N. / Thureau, A. / Hemmerlin, C. / Gelhaye, E. / Jacquot, J.P. / Cung, M.T.
CitationJournal: Biochemistry / Year: 2005
Title: Solution structure of a natural CPPC active site variant, the reduced form of thioredoxin h1 from poplar.
Authors: Coudevylle, N. / Thureau, A. / Hemmerlin, C. / Gelhaye, E. / Jacquot, J.P. / Cung, M.T.
History
DepositionJun 2, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 14, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 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

Downloads & links

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Assembly

Deposited unit
A: thioredoxin H


Theoretical massNumber of molelcules
Total (without water)12,4611
Polymers12,4611
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 50structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein thioredoxin H / PtTrxh1


Mass: 12461.446 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Populus tremula (European aspen) / References: UniProt: Q8S3L3

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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: 1.85 mM Trxh1, 50 mM phosphate buffer, 95% H2O, 5% D2O
Solvent system: 95% H2O/5% D2O
Sample conditionspH: 5.9 / Temperature: 298 K

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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: 600 MHz

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Processing

NMR software
NameClassification
DIANAstructure solution
Discoverrefinement
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 50 / Conformers submitted total number: 20

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