› 4m6u

X-ray diffraction
1.8Å resolution

P. putida mandelate racemase co-crystallized with tartronic acid

Released:
DOI: 10.2210/pdb4m6u/pdb
PDB entry 4m6u coloured by chain, front view.
PDB entry 4m6u coloured by chain, side view.
PDB entry 4m6u coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Potent inhibition of mandelate racemase by a fluorinated substrate-product analogue with a novel binding mode.
Nagar M, Lietzan AD, St Maurice M, Bearne SL
Biochemistry 53 1169-78 (2014)
PMID: 24472022

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
Molecule details ›
Chains: A, B
Length: 383 amino acids
Theoretical weight: 41.3 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: P11444 (Residues: 1-359; Coverage: 100%)
Gene name: mdlA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 2 x MG
Ligand TTN 2 x TTN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: I422
Unit cell:
a: 149.35Å b: 149.35Å c: 177.752Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.147 0.171
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Racemases and epimerases operating through a 1,1-proton transfer mechanism: reactivity, mechanism and inhibition.
Lloyd et al. (2021)
1 more