Research workbench

Horse liver alcohol dehydrogenase PHE93ALA mutant

Analyse Horse liver alcohol dehydrogenase PHE93ALA mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1MGO
Type: protein
Length: 748 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alcohol dehydrogenase E chain
EC: 1.1.1.1
UniProt: P00327
Ligands: NAD, PFB, ZN
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alcohol dehydrogenase E chain (EC 1.1.1.1)	protein	374	30% helix, 26% strand	P00327

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
PFB · 2,3,4,5,6-pentafluorobenzyl alcohol · ligand · 2 copies · chains B, A
ZN · Zinc ion · metal · 4 copies · chains A, B
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	630	0.78	0.83	83	NAD, MPD
2	695	0.77	0.82	83	NAD, PFB
3	419	0.67	0.80	51	empty

Interfaces

1 interface between chains.

A–B · 1763 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

1MGO · Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant · 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 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 P00327
Elsewhere: RCSB PDB 1MGO · PDBe 1MGO · UniProt P00327

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