6WSB

Crystal structure of a betaine aldehyde dehydrogenase from Burkholderia pseudomallei bound to cofactor NAD


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.55 Å
  • R-Value Free: 0.169 
  • R-Value Work: 0.144 
  • R-Value Observed: 0.146 

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This is version 1.2 of the entry. See complete history


Literature

Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei.

Beard, D.K.Subramanian, S.Abendroth, J.Dranow, D.M.Edwards, T.E.Myler, P.J.Asojo, O.A.

(2022) Acta Crystallogr F Struct Biol Commun 78: 45-51

  • DOI: https://doi.org/10.1107/S2053230X21013455
  • Primary Citation of Related Structures:  
    6WSA, 6WSB

  • PubMed Abstract: 

    Burkholderia pseudomallei infection causes melioidosis, which is often fatal if untreated. There is a need to develop new and more effective treatments for melioidosis. This study reports apo and cofactor-bound crystal structures of the potential drug target betaine aldehyde dehydrogenase (BADH) from B. pseudomallei. A structural comparison identified similarities to BADH from Pseudomonas aeruginosa which is inhibited by the drug disulfiram. This preliminary analysis could facilitate drug-repurposing studies for B. pseudomallei.


  • Organizational Affiliation

    Department of Chemistry and Biochemistry, Hampton University, 100 William R. Harvey Way, Hampton, VA 23668, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
NAD/NADP-dependent betaine aldehyde dehydrogenase
A, B
496Burkholderia pseudomallei 1710bMutation(s): 0 
Gene Names: betBBURPS1710b_A0376
EC: 1.2.1.8
UniProt
Find proteins for Q3JLL8 (Burkholderia pseudomallei (strain 1710b))
Explore Q3JLL8 
Go to UniProtKB:  Q3JLL8
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ3JLL8
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 99.27α = 90
b = 156.7β = 90
c = 76.23γ = 90
Software Package:
Software NamePurpose
XDSdata reduction
XSCALEdata scaling
MOLREPphasing
PHENIXrefinement
PDB_EXTRACTdata extraction

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2020-05-20
    Type: Initial release
  • Version 1.1: 2022-02-16
    Changes: Database references
  • Version 1.2: 2023-10-18
    Changes: Data collection, Refinement description