3gqv

X-ray diffraction
1.74Å resolution

Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP

Released:
Source organism: Aspergillus terreus
Entry authors: Ames BD, Smith PT, Ma SM, Kaake R, Wong EW, Wong SK, Xie X, Li JW, Vederas JC, Tang Y, Tsai S-C

Function and Biology Details

Reaction catalysed:
9 malonyl-CoA + 11 NADPH + S-adenosyl-L-methionine + holo-[lovastatin nonaketide synthase] = dihydromonacolin L-[lovastatin nonaketide synthase] + 9 CoA + 9 CO(2) + 11 NADP(+) + S-adenosyl-L-homocysteine + 6 H(2)O
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lovastatin nonaketide synthase, enoyl reductase component lovC Chain: A
Molecule details ›
Chain: A
Length: 371 amino acids
Theoretical weight: 40.58 KDa
Source organism: Aspergillus terreus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y7D0 (Residues: 1-363; Coverage: 100%)
Gene name: lovC
Sequence domains: Alcohol dehydrogenase GroES-like domain
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 42.542Å b: 44.495Å c: 93.001Å
α: 90° β: 101.96° γ: 90°
R-values:
R R work R free
0.174 0.172 0.22
Expression system: Escherichia coli