Non-conservatively refined structure of GAN1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from geobacillus stearothermophilus, in complex with cellobiose-6-phosphate

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Ligands and binding sites

• BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 4 copies · chains C, D, A, B
• BGC · beta-D-glucopyranose · sugar · 2 copies · chains C, D
• GOL · Glycerol · additive · 12 copies · chains A, B, C, D
• IMD · Imidazole · additive · 3 copies · chains A, C, D

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

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Interfaces

4 interfaces between chains.

• C–D · 340 Ų buried · 3 hydrogen bonds · protein-protein
• A–C · 320 Ų buried · 4 hydrogen bonds · protein-protein
• A–B · 317 Ų buried · 1 hydrogen bond · protein-protein
• B–D · 275 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 5OKG · Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative… · the same entry in another collection · chain A against A, TM-score 1.00

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 W8QF82
• Elsewhere: RCSB PDB 5OKG · PDBe 5OKG · UniProt W8QF82