Crystal structure of barley alpha-amylase isozyme 1 (AMY1) in complex with the substrate analogue, methyl 4I,4II,4III-tri- thiomaltotetraoside (thio-DP4)

Structure

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

Ligands and binding sites

• SGC · 4-thio-beta-D-glucopyranose · ligand · 4 copies · chains A
• GTM · methyl 4-thio-beta-D-glucopyranoside · ligand · chains A
• GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
• BGC · beta-D-glucopyranose · sugar · chains A
• CA · Calcium ion · metal · 4 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

• 1P6W · Crystal structure of barley alpha-amylase isozyme 1 (AMY1) in complex with the substrate… · the same entry in another collection · chain A against A, TM-score 1.00
• P00693 · AlphaFold monomer V2.0 prediction for alpha-amylase type a isozyme (P00693) · 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 P00693
• Elsewhere: RCSB PDB 1P6W · PDBe 1P6W · UniProt P00693