› 5l3z

X-ray diffraction
1.95Å resolution

polyketide ketoreductase SimC7 - binary complex with NADP+

Released:
DOI: 10.2210/pdb5l3z/pdb
PDB 5l3z coloured by chain and viewed from the front.
PDB 5l3z coloured by chain and viewed from the side.
PDB 5l3z coloured by chain and viewed from the top.
Source organism: Streptomyces antibioticus
Primary publication:
Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Schäfer M, Stevenson CEM, Wilkinson B, Lawson DM, Buttner MJ
Cell Chem Biol 23 1091-7 (2016)
PMID: 27617849

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD(P)-binding domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 304 amino acids
Theoretical weight: 32.28 KDa
Source organism: Streptomyces antibioticus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: G9VYV4 (Residues: 1-284; Coverage: 100%)
Gene name: simC7
Sequence domains: NAD(P)H-binding
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P41212
Unit cell:
a: 52.23Å b: 52.23Å c: 214Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.217
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

Structural biology of 11-cis-retinaldehyde production in the classical visual cycle.
Daruwalla et al. (2018)
3 more