Barley alpha-amylase with substrate analogue acarbose

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).

Ligands and binding sites

• DAF · 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose · ligand · chains A
• AF1 · 4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose · ligand · chains A
• BGC · beta-D-glucopyranose · sugar · chains A
• CA · Calcium ion · metal · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 1BG9 · Barley alpha-amylase with substrate analogue acarbose · the same entry in another collection · chain A against A, TM-score 1.00
• P04063 · AlphaFold monomer V2.0 prediction for alpha-amylase type B isozyme (P04063) · a predicted model of the same protein · 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 P04063
• Elsewhere: RCSB PDB 1BG9 · PDBe 1BG9 · UniProt P04063