Crystal structure of alpha-amylase in complex with acarviostatin I03

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).

Ligands and binding sites

• G6D · alpha-D-quinovopyranose · ligand · chains A
• ACI · 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol · ligand · chains A
• PCA · Pyroglutamic acid · ligand · chains A
• GLC · alpha-D-glucopyranose · sugar · 9 copies · chains A
• BGC · beta-D-glucopyranose · sugar · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · chains A
• SO4 · Sulfate ion · ion · chains A
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 5 disulfide, 1 covalent, 1 glycan (disulfide, covalent ligand, N-glycosylation).

Compared structures

• 3OLD · Crystal structure of alpha-amylase in complex with acarviostatin I03 · the same entry in another collection · chain A against A, TM-score 1.00
• P04746 · AlphaFold monomer V2.0 prediction for pancreatic alpha-amylase (P04746) · 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 P04746
• Elsewhere: RCSB PDB 3OLD · PDBe 3OLD · UniProt P04746