› 1mdr

X-ray diffraction
2.1Å resolution

THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE

Released:
DOI: 10.2210/pdb1mdr/pdb
PDB entry 1mdr coloured by chain, front view.
PDB entry 1mdr coloured by chain, side view.
PDB entry 1mdr coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Landro JA, Gerlt JA, Kozarich JW, Koo CW, Shah VJ, Kenyon GL, Neidhart DJ, Fujita S, Petsko GA
Biochemistry 33 635-43 (1994)
PMID: 8292591

Function and Biology Details

Reaction catalysed: 
(S)-mandelate = (R)-mandelate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure 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 Chain: A
Molecule details ›
Chain: A
Length: 359 amino acids
Theoretical weight: 38.6 KDa
Source organism: Pseudomonas putida
Expression system: Not provided
UniProt:
  • Canonical: P11444 (Residues: 1-359; Coverage: 100%)
Gene name: mdlA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand APG 1 x APG
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: I422
Unit cell:
a: 125.15Å b: 125.15Å c: 105.65Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.151 not available
Expression system: Not provided

Quick links

Citations

5 review citations

Divergent evolution of enzymatic function: mechanistically diverse superfamilies and functionally distinct suprafamilies.
Gerlt et al. (2001)
4 more

12 mentions without citation

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