› 8ixh

X-ray diffraction
1.95Å resolution

Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site

Released:
DOI: 10.2210/pdb8ixh/pdb
PDB entry 8ixh coloured by chain, front view.
PDB entry 8ixh coloured by chain, side view.
PDB entry 8ixh coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile α-Keto-Acid Reductase.
Basu Choudhury G, Datta S
Biochemistry (2024)
PMID: 38962820

Function and Biology Details

Reaction catalysed: 
(R)-pantoate + NADP(+) = 2-dehydropantoate + NADPH
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-245891 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-dehydropantoate 2-reductase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 315 amino acids
Theoretical weight: 34.21 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9I2Y5 (Residues: 1-315; Coverage: 100%)
Gene name: PA1752
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand 1QQ 3 x 1QQ
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RRCAT INDUS-2 BEAMLINE PX-BL21
Spacegroup: C2
Unit cell:
a: 192.206Å b: 47.916Å c: 129.233Å
α: 90° β: 129.68° γ: 90°
R-values:
R R work R free
0.198 0.197 0.22
Expression system: Escherichia coli BL21

Quick links