› 9cp8

X-ray diffraction
1.57Å resolution

Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with product (R-sulfolactate) and NADH

Released:
DOI: 10.2210/pdb9cp8/pdb
PDB entry 9cp8 coloured by chain, front view.
PDB entry 9cp8 coloured by chain, side view.
PDB entry 9cp8 coloured by chain, top view.
Source organism: Cupriavidus pinatubonensis JMP134
Primary publication:
Structural and kinetic insights into the stereospecific oxidation of R-2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Burchill L, Kaur A, Nastasovici A, Lee M, Williams SJ
Chem Sci (2024)
PMID: 39263660

Function and Biology Details

Reaction catalysed: 
(R)-2,3-dihydroxypropane-1-sulfonate + 2 NAD(+) + H(2)O = (R)-3-sulfolactate + 2 NADH
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-251806 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfopropanediol 3-dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 437 amino acids
Theoretical weight: 46.99 KDa
Source organism: Cupriavidus pinatubonensis JMP134
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q46N53 (Residues: 1-436; Coverage: 100%)
Gene names: Reut_C6092, hpsN
Sequence domains: Histidinol dehydrogenase

Ligands and Environments


Cofactor: Ligand NAI 2 x NAI
2 bound ligands:
Ligand ZN 2 x ZN
Ligand 3SL 2 x 3SL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 83.078Å b: 75.592Å c: 84.995Å
α: 90° β: 117.279° γ: 90°
R-values:
R R work R free
0.151 0.15 0.176
Expression system: Escherichia coli BL21(DE3)

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