Alpha-galactosidase mutant D387A from thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4- dinitro leaving group

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).

Ligands and binding sites

• FEQ · (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol · ligand · chains A
• MG · Magnesium ion · metal · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 6GWF · Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact… · the same entry in another collection · chain A against A, TM-score 1.00
• G4FEF4 · AlphaFold monomer V2.0 prediction for alpha-galactosidase (G4FEF4) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt G4FEF4
• Elsewhere: RCSB PDB 6GWF · PDBe 6GWF · UniProt G4FEF4