› 7clz

X-ray diffraction
2.1Å resolution

Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C

Released:
DOI: 10.2210/pdb7clz/pdb
PDB entry 7clz coloured by chain, front view.
PDB entry 7clz coloured by chain, side view.
PDB entry 7clz coloured by chain, top view.
Source organism: Streptomyces ambofaciens ATCC 23877
Primary publication:
Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the α/β-fold epoxide hydrolase Alp1U.
Zhang L, De BC, Zhang W, Mándi A, Fang Z, Yang C, Zhu Y, Kurtán T, Zhang C
J Biol Chem 295 16987-16997 (2020)
PMID: 33004437

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102316 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 339 amino acids
Theoretical weight: 37 KDa
Source organism: Streptomyces ambofaciens ATCC 23877
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0K2AJY3 (Residues: 8-326; Coverage: 100%)
Gene names: SAM23877_0167, SAM23877_7506
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

4 bound ligands:
Ligand DY9 3 x DY9
Ligand NA 2 x NA
Ligand MLT 4 x MLT
Ligand BO3 2 x BO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 96.664Å b: 100.208Å c: 117.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.193 0.247
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Flavin-enabled reductive and oxidative epoxide ring opening reactions.
De et al. (2022)

1 mention without citation

Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the α/β-fold epoxide hydrolase Alp1U.
Zhang et al. (2020)