Crystallization of human BETA1 alcohol dehydrogenase (15 MG/ML) in 50 mm sodium phosphate (pH 7.5), 2.0 mm NAD+ and 1 mm 4-iodopyrazole at 25 oc, 13% (W/V) peg 8000

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 26% strand (DSSP).

Ligands and binding sites

• NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
• PYZ · 4-iodopyrazole · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 4 copies · chains A, B
• CL · Chloride ion · ion · chains B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1740 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

• 1DEH · Crystallization of human BETA1 alcohol dehydrogenase (15 MG/ML) in 50 mm sodium phosphate… · the same entry in another collection · chain A against A, TM-score 1.00
• P00325 · AlphaFold monomer V2.0 prediction for all-trans-retinol dehydrogenase [NAD(+)] ADH1B… · 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 P00325
• Elsewhere: RCSB PDB 1DEH · PDBe 1DEH · UniProt P00325