1TI3

Solution structure of the Thioredoxin h1 from poplar, a CPPC active site variant


Experimental Data Snapshot

  • Method: SOLUTION NMR
  • Conformers Calculated: 50 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the lowest energy 

wwPDB Validation   3D Report Full Report


This is version 1.3 of the entry. See complete history


Literature

Solution structure of a natural CPPC active site variant, the reduced form of thioredoxin h1 from poplar.

Coudevylle, N.Thureau, A.Hemmerlin, C.Gelhaye, E.Jacquot, J.P.Cung, M.T.

(2005) Biochemistry 44: 2001-2008

  • DOI: https://doi.org/10.1021/bi047816n
  • Primary Citation of Related Structures:  
    1TI3

  • PubMed Abstract: 

    Assignment of heteronuclear and homonuclear multidimensional NMR spectra permits determination of the first three-dimensional solution structure of a higher-plant thioredoxin h. The collection of 1906 distance restraints, 137 TALOS-derived dihedral restraints, and 66 hydrogen bonds was used in the restrained molecular dynamics protocol to calculate the structure of the reduced form of thioredoxin h1 from poplar with an atomic rmsd of 0.60 +/- 0.12 A. This enzyme exhibits an unusual active site with the sequence WCPPC and original properties in terms of stability and specificity. Compared to other known thioredoxin structures, thioredoxin h1 from poplar adopts the classical "Trx fold". Its atypical active site possesses a conformation similar to that of other common thioredoxins but appears to be more rigid. Moreover, the hydrogen bond network, stabilizing the in-core beta-sheet, is tighter than in Chlamydomonas reinhardtii, explaining the difference in thermostability.


  • Organizational Affiliation

    Laboratoire de Chimie-Physique Macromoléculaire, UMR 7568 CNRS-INPL, Groupe ENSIC, 1 rue Grandville, B.P. 451, 54001 Nancy Cedex, France.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
thioredoxin H113Populus tremulaMutation(s): 0 
UniProt
Find proteins for Q8S3L3 (Populus tremula x Populus tremuloides)
Explore Q8S3L3 
Go to UniProtKB:  Q8S3L3
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8S3L3
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: SOLUTION NMR
  • Conformers Calculated: 50 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the lowest energy 

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2004-12-14
    Type: Initial release
  • Version 1.1: 2008-04-30
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2022-03-02
    Changes: Data collection, Database references, Derived calculations