› 3sju

X-ray diffraction
2.4Å resolution

Hedamycin Polyketide Ketoreductase bound to NADPH

Released:
DOI: 10.2210/pdb3sju/pdb
PDB entry 3sju coloured by chain, front view.
PDB entry 3sju coloured by chain, side view.
PDB entry 3sju coloured by chain, top view.
Source organism: Streptomyces griseoruber
Primary publication:
Structural and biochemical studies of the hedamycin type II polyketide ketoreductase (HedKR): molecular basis of stereo- and regiospecificities.
Javidpour P, Das A, Khosla C, Tsai SC
Biochemistry 50 7426-39 (2011)
PMID: 21776967

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo tetramer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179307 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Keto reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 279 amino acids
Theoretical weight: 28.96 KDa
Source organism: Streptomyces griseoruber
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q67G28 (Residues: 1-259; Coverage: 100%)
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand NDP 2 x NDP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: C2
Unit cell:
a: 116.698Å b: 57.392Å c: 82.106Å
α: 90° β: 131.61° γ: 90°
R-values:
R R work R free
0.186 0.182 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Bioinformatics tools for genome mining of polyketide and non-ribosomal peptides.
Boddy CN. (2014)
2 more

2 mentions without citation

Structural and biochemical studies of the hedamycin type II polyketide ketoreductase (HedKR): molecular basis of stereo- and regiospecificities.
Javidpour et al. (2011)
1 more