› 3gzj

X-ray diffraction
2.19Å resolution

Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine

Released:
DOI: 10.2210/pdb3gzj/pdb
PDB entry 3gzj coloured by chain, front view.
PDB entry 3gzj coloured by chain, side view.
PDB entry 3gzj coloured by chain, top view.
Source organism: Rauvolfia serpentina
Primary publication:
Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids.
Yang L, Hill M, Wang M, Panjikar S, Stöckigt J
Angew Chem Int Ed Engl 48 5211-3 (2009)
PMID: 19496101

Function and Biology Details

Reaction catalysed: 
Polyneuridine aldehyde + H(2)O = 16-epivellosimine + CO(2) + methanol
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193450 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polyneuridine-aldehyde esterase Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 258 amino acids
Theoretical weight: 29.01 KDa
Source organism: Rauvolfia serpentina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9SE93 (Residues: 7-264; Coverage: 98%)
Gene name: PNAE
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand EVS 4 x EVS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 171.21Å b: 44.61Å c: 180.41Å
α: 90° β: 104.44° γ: 90°
R-values:
R R work R free
0.212 0.209 0.278
Expression system: Escherichia coli

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Citations

3 review citations

Trends for diverse production strategies of plant medicinal alkaloids.
Yang et al. (2010)
2 more

1 mention without citation

Unveiling the functional diversity of the alpha/beta hydrolase superfamily in the plant kingdom.
Mindrebo et al. (2016)