› 8qf8

X-ray diffraction
2.4Å resolution

GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine

Released:
DOI: 10.2210/pdb8qf8/pdb
PDB entry 8qf8 coloured by chain, front view.
PDB entry 8qf8 coloured by chain, side view.
PDB entry 8qf8 coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron
Primary publication:
β-l-Arabinofurano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining β-l-Arabinofuranosidases.
Borlandelli V, Offen W, Moroz O, Nin-Hill A, McGregor N, Binkhorst L, Ishiwata A, Armstrong Z, Artola M, Rovira C, Davies GJ, Overkleeft HS
OpenAccess logo ACS Chem Biol (2023)
PMID: 38051515

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-236424 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycosyl hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 802 amino acids
Theoretical weight: 91.46 KDa
Source organism: Bacteroides thetaiotaomicron
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6I0SRL5 (Residues: 1-802; Coverage: 100%)
Gene name: GAN91_19850
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand UI5 1 x UI5
Ligand ZN 2 x ZN
Ligand UHU 1 x UHU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 93.84Å b: 98.549Å c: 196.584Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.19 0.221
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

β-l-Arabinofurano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining β-l-Arabinofuranosidases.
Borlandelli et al. (2023)