2wfl

X-ray diffraction
2.1Å resolution

Crystal structure of polyneuridine aldehyde esterase

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-193450 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Polyneuridine-aldehyde esterase Chain: A
Molecule details ›
Chain: A
Length: 264 amino acids
Theoretical weight: 29.77 KDa
Source organism: Rauvolfia serpentina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9SE93 (Residues: 1-264; Coverage: 100%)
Gene name: PNAE
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase
Polyneuridine-aldehyde esterase Chain: B
Molecule details ›
Chain: B
Length: 264 amino acids
Theoretical weight: 29.84 KDa
Source organism: Rauvolfia serpentina
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9SE93 (Residues: 1-264; Coverage: 100%)
Gene name: PNAE
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: C2221
Unit cell:
a: 92.758Å b: 176.917Å c: 75.697Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.231
Expression system: Escherichia coli