› 2fr1

X-ray diffraction
1.79Å resolution

The first ketoreductase of the erythromycin synthase (crystal form 2)

Released:
DOI: 10.2210/pdb2fr1/pdb
PDB entry 2fr1 coloured by chain, front view.
PDB entry 2fr1 coloured by chain, side view.
PDB entry 2fr1 coloured by chain, top view.
Source organism: Saccharopolyspora erythraea
Primary publication:
The structure of a ketoreductase determines the organization of the beta-carbon processing enzymes of modular polyketide synthases.
Keatinge-Clay AT, Stroud RM
Structure 14 737-48 (2006)
PMID: 16564177

Function and Biology Details

Reaction catalysed: 
Propanoyl-CoA + 6 (2S)-methylmalonyl-CoA + 6 NADPH = 6-deoxyerythronolide B + 7 CoA + 6 CO(2) + H(2)O + 6 NADP(+)
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169837 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-deoxyerythronolide-B synthase EryA1, modules 1 and 2 Chain: A
Molecule details ›
Chain: A
Length: 486 amino acids
Theoretical weight: 51.08 KDa
Source organism: Saccharopolyspora erythraea
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q03131 (Residues: 1391-1872; Coverage: 14%)
Gene name: eryA
Sequence domains: KR domain
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P1
Unit cell:
a: 42.043Å b: 42.939Å c: 61.044Å
α: 90.03° β: 103.81° γ: 100.71°
R-values:
R R work R free
0.227 0.227 0.257
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

38 review citations

Medium- and short-chain dehydrogenase/reductase gene and protein families : the SDR superfamily: functional and structural diversity within a family of metabolic and regulatory enzymes.
Kavanagh et al. (2008)
37 more

4 mentions without citation

Towards Precision Engineering of Canonical Polyketide Synthase Domains: Recent Advances and Future Prospects.
Bayly et al. (2017)
3 more