› 3zj7

X-ray diffraction
2.5Å resolution

Crystal structure of strictosidine glucosidase in complex with inhibitor-1

Released:
DOI: 10.2210/pdb3zj7/pdb
PDB entry 3zj7 coloured by chain, front view.
PDB entry 3zj7 coloured by chain, side view.
PDB entry 3zj7 coloured by chain, top view.
Source organism: Rauvolfia serpentina
Primary publication:
Ligand structures of synthetic deoxa-pyranosylamines with raucaffricine and strictosidine glucosidases provide structural insights into their binding and inhibitory behaviours.
Xia L, Lin H, Staniek A, Panjikar S, Ruppert M, Hilgers P, Williardt J, Rajendran C, Wang M, Warzecha H, Jäger V, Stöckigt J
J Enzyme Inhib Med Chem 30 472-8 (2015)
PMID: 25140865

Function and Biology Details

Reaction catalysed: 
Strictosidine + H(2)O = D-glucose + strictosidine aglycone
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184577 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Strictosidine-O-beta-D-glucosidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 532 amino acids
Theoretical weight: 60.96 KDa
Source organism: Rauvolfia serpentina
Expression system: Escherichia coli M15
UniProt:
  • Canonical: Q8GU20 (Residues: 1-532; Coverage: 100%)
Gene name: SGR1
Sequence domains: Glycosyl hydrolase family 1
Structure domains: Glycosidases

Ligands and Environments

1 bound ligand:
Ligand C1K 2 x C1K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P4212
Unit cell:
a: 159.219Å b: 159.219Å c: 110.974Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.258 0.258 0.276
Expression system: Escherichia coli M15

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