4TSK

Ketol-acid reductoisomerase from Alicyclobacillus acidocaldarius

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.50 Å
  • R-Value Free: 0.182 
  • R-Value Work: 0.154 
  • R-Value Observed: 0.156 

Starting Model: experimental
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This is version 1.3 of the entry. See complete history. 


Literature

Uncovering rare NADH-preferring ketol-acid reductoisomerases.

Brinkmann-Chen, S., Cahn, J.K., Arnold, F.H.

(2014) Metab Eng 26C: 17-22

  • DOI: https://doi.org/10.1016/j.ymben.2014.08.003
  • Primary Citation of Related Structures:  
    4TSK

  • PubMed Abstract: 

    All members of the ketol-acid reductoisomerase (KARI) enzyme family characterized to date have been shown to prefer the nicotinamide adenine dinucleotide phosphate hydride (NADPH) cofactor to nicotinamide adenine dinucleotide hydride (NADH). However, KARIs with the reversed cofactor preference are desirable for industrial applications, including anaerobic fermentation to produce branched-chain amino acids. By applying insights gained from structural and engineering studies of this enzyme family to a comprehensive multiple sequence alignment of KARIs, we identified putative NADH-utilizing KARIs and characterized eight whose catalytic efficiencies using NADH were equal to or greater than NADPH. These are the first naturally NADH-preferring KARIs reported and demonstrate that this property has evolved independently multiple times, using strategies unlike those used previously in the laboratory to engineer a KARI cofactor switch.

    • Organizational Affiliation: 

    California Institute of Technology, Division of Chemistry and Chemical Engineering, 1200 E California Blvd, MC 210-41, Pasadena, CA 91125, USA. Electronic address: [email protected].


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Ketol-acid reductoisomerase350Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446Mutation(s): 0 
Gene Names: ilvC, Aaci_2227
EC: 1.1.1.86
UniProt
Find proteins for C8WR67 (Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / BCRC 14685 / JCM 5260 / KCTC 1825 / NBRC 15652 / NCIMB 11725 / NRRL B-14509 / 104-IA))
Explore C8WR67 
Go to UniProtKB:  C8WR67
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupC8WR67
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.50 Å
  • R-Value Free: 0.182 
  • R-Value Work: 0.154 
  • R-Value Observed: 0.156 
  • Space Group: P 2 3
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 124.099α = 90
b = 124.099β = 90
c = 124.099γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
SCALAdata scaling
PDB_EXTRACTdata extraction

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2014-07-09
    Type: Initial release
  • Version 1.1: 2014-11-19
    Changes: Database references
  • Version 1.2: 2017-11-22
    Changes: Derived calculations, Other, Refinement description, Source and taxonomy
  • Version 1.3: 2023-09-27
    Changes: Data collection, Database references, Derived calculations, Refinement description