3gzj

X-ray diffraction
2.19Å resolution

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

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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 family
Structure domains: Rossmann fold

Ligands and Environments

1 bound ligand:

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