› 3uxk

X-ray diffraction
2.2Å resolution

P. putida mandelate racemase co-crystallized with the intermediate analogue benzohydroxamate

Released:
DOI: 10.2210/pdb3uxk/pdb
PDB entry 3uxk coloured by chain, front view.
PDB entry 3uxk coloured by chain, side view.
PDB entry 3uxk coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron.
Lietzan AD, Nagar M, Pellmann EA, Bourque JR, Bearne SL, St Maurice M
Biochemistry 51 1160-70 (2012)
PMID: 22264153

Function and Biology Details

Reaction catalysed: 
(S)-mandelate = (R)-mandelate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145839 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mandelate racemase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 383 amino acids
Theoretical weight: 41.3 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11444 (Residues: 1-359; Coverage: 100%)
Gene name: mdlA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand BHO 4 x BHO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: I4
Unit cell:
a: 148.309Å b: 148.309Å c: 169.552Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.193
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Pseudomonas: a promising biocatalyst for the bioconversion of terpenes.
Molina et al. (2013)
1 more

2 mentions without citation

Capturing the free energy of transition state stabilization: insights from the inhibition of mandelate racemase.
Bearne SL. (2023)
1 more