› 6s5j

X-ray diffraction
2.42Å resolution

Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline

Released:
DOI: 10.2210/pdb6s5j/pdb
PDB 6s5j coloured by chain and viewed from the front.
PDB 6s5j coloured by chain and viewed from the side.
PDB 6s5j coloured by chain and viewed from the top.
Source organism: Ophiorrhiza pumila
Primary publication:
Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
Eger E, Simon A, Sharma M, Yang S, Breukelaar WB, Grogan G, Houk KN, Kroutil W
J. Am. Chem. Soc. 142 792-800 (2020)
PMID: 31909617

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Strictosidine synthase conserved region domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 36.77 KDa
Source organism: Ophiorrhiza pumila
Expression system: Escherichia coli
UniProt:
  • Canonical: Q94LW9 (Residues: 23-351; Coverage: 100%)
Gene name: str
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand KW8 1 x KW8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 77.333Å b: 79.349Å c: 62.393Å
α: 90° β: 92.2° γ: 90°
R-values:
R R work R free
0.221 0.218 0.277
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Enzymatic Late-Stage Modifications: Better Late Than Never.
Romero et al. (2021)
2 more