V203A horse liver alcohol dehydrogenase E complexed with NAD+ and 2,3, 4,5,6-pentafluorobenzyl alcohol

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

Ligands and binding sites

• NAJ · Nicotinamide-adenine-dinucleotide (acidic form) · ligand · 2 copies · chains A, B
• PFB · 2,3,4,5,6-pentafluorobenzyl alcohol · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 4 copies · chains A, B
• MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1741 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

• 4NG5 · V203A horse liver alcohol dehydrogenase E complexed with NAD+ and… · the same entry in another collection · chain A against A, TM-score 1.00
• P00327 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase E chain (P00327) · a predicted model of the same protein · chain B 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 P00327
• Elsewhere: RCSB PDB 4NG5 · PDBe 4NG5 · UniProt P00327