› 2a7p

X-ray diffraction
2.2Å resolution

Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase in complex with its substrate 3-indolelactate

Released:
DOI: 10.2210/pdb2a7p/pdb
PDB entry 2a7p coloured by chain, front view.
PDB entry 2a7p coloured by chain, side view.
PDB entry 2a7p coloured by chain, top view.
Source organisms:
Primary publication:
Structures of the G81A mutant form of the active chimera of (S)-mandelate dehydrogenase and its complex with two of its substrates.
Sukumar N, Dewanti A, Merli A, Rossi GL, Mitra B, Mathews FS
Acta Crystallogr D Biol Crystallogr 65 543-52 (2009)
PMID: 19465768

Function and Biology Details

Reactions catalysed: 
(S)-2-hydroxy acid + O(2) = 2-oxo acid + H(2)O(2)
(S)-2-hydroxy-2-phenylacetate + acceptor = 2-oxo-2-phenylacetate + reduced acceptor
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138661 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-mandelate dehydrogenase; Glycolate oxidase Chain: A
Molecule details ›
Chain: A
Length: 380 amino acids
Theoretical weight: 42.15 KDa
Source organisms: Expression system: Escherichia coli
UniProt:
  • Canonical: P20932 (Residues: 1-14, 16-80, 82-176, 216-393; Coverage: 90%)
  • Canonical: P05414 (Residues: 13-13, 79-79, 176-195; Coverage: 6%)
Gene name: mdlB
Sequence domains: FMN-dependent dehydrogenase
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand FMN 1 x FMN
2 bound ligands:
Ligand MES 1 x MES
Ligand 3IL 1 x 3IL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 8-BM
Spacegroup: I4
Unit cell:
a: 99.4Å b: 99.4Å c: 87.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.198 0.243
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Metabolic engineering of Escherichia coli for the production of phenylpyruvate derivatives.
Liu et al. (2015)
5 other articles

1 mention without citation

Structures of the G81A mutant form of the active chimera of (S)-mandelate dehydrogenase and its complex with two of its substrates.
Sukumar et al. (2009)