› 5h81

X-ray diffraction
2.1Å resolution

HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+

Released:
DOI: 10.2210/pdb5h81/pdb
PDB entry 5h81 coloured by chain, front view.
PDB entry 5h81 coloured by chain, side view.
PDB entry 5h81 coloured by chain, top view.
Source organism: Catharanthus roseus
Primary publication:
Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Stavrinides A, Tatsis EC, Caputi L, Foureau E, Stevenson CE, Lawson DM, Courdavault V, O'Connor SE
Nat Commun 7 12116 (2016)
PMID: 27418042

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-103315 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heteroyohimbine synthase THAS2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 389 amino acids
Theoretical weight: 42.62 KDa
Source organism: Catharanthus roseus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A1C7D193 (Residues: 1-299; Coverage: 100%)
Gene name: Cr_021691
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NAP 2 x NAP
Ligand ZN 4 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 70.96Å b: 83.79Å c: 117.16Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.232
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Transcriptional Regulation and Transport of Terpenoid Indole Alkaloid in Catharanthus roseus: Exploration of New Research Directions.
Liu et al. (2016)
3 more

1 mention without citation

Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Stavrinides et al. (2016)