› 5dbg

X-ray diffraction
1.95Å resolution

Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+

Released:
DOI: 10.2210/pdb5dbg/pdb
PDB entry 5dbg coloured by chain, front view.
PDB entry 5dbg coloured by chain, side view.
PDB entry 5dbg coloured by chain, top view.
Source organism: Catharanthus roseus
Primary publication:
Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms.
Hu Y, Liu W, Malwal SR, Zheng Y, Feng X, Ko TP, Chen CC, Xu Z, Liu M, Han X, Gao J, Oldfield E, Guo RT
Angew Chem Int Ed Engl 54 15478-15482 (2015)
PMID: 26768532

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: 374 amino acids
Theoretical weight: 42.28 KDa
Source organism: Catharanthus roseus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: K7WDL7 (Residues: 26-388; Coverage: 94%)
Sequence domains: PRISE-like Rossmann-fold domain
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: C2221
Unit cell:
a: 92.124Å b: 95.583Å c: 173.036Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.177 0.23
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

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