› 6rt8

X-ray diffraction
2.19Å resolution

Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound

Released:
DOI: 10.2210/pdb6rt8/pdb
PDB entry 6rt8 coloured by chain, front view.
PDB entry 6rt8 coloured by chain, side view.
PDB entry 6rt8 coloured by chain, top view.
Source organism: Catharanthus roseus
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

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-104384 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Catharanthine synthase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 330 amino acids
Theoretical weight: 37.08 KDa
Source organism: Catharanthus roseus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A2P1GIW2 (Residues: 7-330; Coverage: 98%)
Gene names: CS, Caros025416, HL1
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

2 bound ligands:
Ligand KJE 8 x KJE
Ligand P6G 4 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 81.54Å b: 121.03Å c: 157.98Å
α: 90° β: 99.02° γ: 90°
R-values:
R R work R free
0.196 0.194 0.234
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

1 mention without citation

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