› 2rhr

X-ray diffraction
2.5Å resolution

P94L actinorhodin ketordeuctase mutant, with NADPH and Inhibitor Emodin

Released:
DOI: 10.2210/pdb2rhr/pdb
PDB entry 2rhr coloured by chain, front view.
PDB entry 2rhr coloured by chain, side view.
PDB entry 2rhr coloured by chain, top view.
Source organism: Streptomyces coelicolor
Primary publication:
Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase.
Korman TP, Tan YH, Wong J, Luo R, Tsai SC
Biochemistry 47 1837-47 (2008)
PMID: 18205400

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147759 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative ketoacyl reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 277 amino acids
Theoretical weight: 29.12 KDa
Source organism: Streptomyces coelicolor
Expression system: Escherichia coli
UniProt:
  • Canonical: P16544 (Residues: 1-261; Coverage: 100%)
Gene names: SCBAC28G1.12c, SCO5086, actIII
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

2 bound ligands:
Ligand NDP 2 x NDP
Ligand EMO 2 x EMO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3221
Unit cell:
a: 104.778Å b: 104.778Å c: 123.364Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.184 0.216
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Recent Developments and Applications of the MMPBSA Method.
Wang et al. (2017)
10 more

1 mention without citation

Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase.
Korman et al. (2008)