MolNFT v1 · #14658 · protein
Horse liver alcohol dehydrogenase PHE93ALA mutant
1MGO · Alcohol dehydrogenase E chain: “Horse liver alcohol dehydrogenase PHE93ALA mutant”. X-ray diffraction, 3 ligands (NAD, PFB, ZN), 3 pockets (best druggability 0.78). MolNFT v1 #14658 on GenesisL1: 3D structure, binding sites and…
- 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.
| Volume (ų) | 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 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
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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