› 7dku

X-ray diffraction
1.6Å resolution

Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellobiose

Released:
DOI: 10.2210/pdb7dku/pdb
PDB entry 7dku coloured by chain, front view.
PDB entry 7dku coloured by chain, side view.
PDB entry 7dku coloured by chain, top view.
Source organism: Thermoanaerobacterium xylanolyticum LX-11
Primary publication:
Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Pengthaisong S, Hua Y, Ketudat Cairns JR
Arch Biochem Biophys 706 108924 (2021)
PMID: 34019851

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-514549 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Glucosylceramidase Chain: A
Molecule details ›
Chain: A
Length: 799 amino acids
Theoretical weight: 91.74 KDa
Source organism: Thermoanaerobacterium xylanolyticum LX-11
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: F6BL85 (Residues: 19-806; Coverage: 98%)
Gene name: Thexy_2211
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC
Carbohydrate polymer
2 bound ligands:
Ligand GOL 14 x GOL
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P21212
Unit cell:
a: 177.259Å b: 54.459Å c: 83.154Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.156 0.18
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

Chemoenzymatic and Protecting-Group-Free Synthesis of 1,4-Substituted 1,2,3-Triazole-α-d-glucosides with Potent Inhibitory Activity toward Lysosomal α-Glucosidase.
Gorantla et al. (2021)
1 more