› 5dcy

X-ray diffraction
1.45Å resolution

Iridoid synthase G150A mutant from Catharanthus roseus - binary complex with NADP+

Released:
DOI: 10.2210/pdb5dcy/pdb
PDB entry 5dcy coloured by chain, front view.
PDB entry 5dcy coloured by chain, side view.
PDB entry 5dcy coloured by chain, top view.
Source organism: Catharanthus roseus
Primary publication:
Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Kries H, Caputi L, Stevenson CEM, Kamileen MO, Sherden NH, Geu-Flores F, Lawson DM, O'Connor SE
Nat Chem Biol 12 6-8 (2016)
PMID: 26551396

Function and Biology Details

Reaction catalysed: 
(S)-8-oxocitronellyl enol + NAD(P)(+) = (6E)-8-oxogeranial + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125627 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-8-oxocitronellyl enol synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 368 amino acids
Theoretical weight: 41.44 KDa
Source organism: Catharanthus roseus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: K7WDL7 (Residues: 23-388; Coverage: 94%)
Sequence domains: NAD dependent epimerase/dehydratase family
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

3 bound ligands:
Ligand NAP 2 x NAP
Ligand PGE 2 x PGE
Ligand EDO 6 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2221
Unit cell:
a: 92.12Å b: 95.9Å c: 172.16Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.187
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Structural and Chemical Biology of Terpenoid Cyclases.
Christianson DW. (2017)
10 more

2 mentions without citation

Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Kries et al. (2016)
1 more