Crystal structure of a (CA,ZN)-dependent alpha-amylase from the hyperthermophilic archaeon pyrococcus woesei in complex with acarbose

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).

Ligands and binding sites

• AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · 3 copies · chains A
• ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · 2 copies · chains A
• GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A
• MG · Magnesium ion · metal · 3 copies · chains A
• ZN · Zinc ion · metal · chains A
• CA · Calcium ion · metal · chains A
• EOH · Ethanol · additive · 4 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 1MXG · Crystal Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic… · 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 O08452
• Elsewhere: RCSB PDB 1MXG · PDBe 1MXG · UniProt O08452