› 6s5m

X-ray diffraction
1.9Å resolution

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

Released:
DOI: 10.2210/pdb6s5m/pdb
PDB entry 6s5m coloured by chain, front view.
PDB entry 6s5m coloured by chain, side view.
PDB entry 6s5m coloured by chain, top view.
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:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188243 (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: 25-351; Coverage: 100%)
Gene name: str
Sequence domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2
Unit cell:
a: 76.365Å b: 78.756Å c: 62.213Å
α: 90° β: 93.22° γ: 90°
R-values:
R R work R free
0.205 0.203 0.243
Expression system: Escherichia coli

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Citations

4 review citations

Recent trends in biocatalysis.
Yi et al. (2021)
3 more