› 6rj8

X-ray diffraction
1.42Å resolution

Structure of the alpha-beta hydrolase CorS from Tabernathe iboga

Released:
DOI: 10.2210/pdb6rj8/pdb
PDB entry 6rj8 coloured by chain, front view.
PDB entry 6rj8 coloured by chain, side view.
PDB entry 6rj8 coloured by chain, top view.
Source organism: Tabernanthe iboga
Primary publication:
Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Caputi L, Franke J, Bussey K, Farrow SC, Vieira IJC, Stevenson CEM, Lawson DM, O'Connor SE
Nat Chem Biol 16 383-386 (2020)
PMID: 32066966

Function and Biology Details

Reaction catalysed: 
2,4',5,7-tetrahydroxyisoflavanone = genistein + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105324 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha/beta hydrolase fold-3 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 326 amino acids
Theoretical weight: 36.48 KDa
Source organism: Tabernanthe iboga
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A5B8X6B5 (Residues: 2-325; Coverage: 100%)
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand PG4 2 x PG4
Ligand PEG 1 x PEG
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P6522
Unit cell:
a: 82.838Å b: 82.838Å c: 247.556Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.156 0.154 0.182
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The iboga enigma: the chemistry and neuropharmacology of iboga alkaloids and related analogs.
Iyer et al. (2021)
1 more

2 mentions without citation

Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Caputi et al. (2020)
1 more