Crystal structure analysis of the ternary complex between psychrophilic alpha amylase from pseudoalteromonas haloplanctis in complex with a hepta-saccharide and a tris molecule

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 23% 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 · 2 copies · chains A
• GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · 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

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

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 1G94 · Crystal structure analysis of the ternary complex between psychrophilic alpha amylase… · the same entry in another collection · chain A against A, TM-score 1.00
• P29957 · AlphaFold monomer V2.0 prediction for alpha-amylase (P29957) · 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 P29957
• Elsewhere: RCSB PDB 1G94 · PDBe 1G94 · UniProt P29957