MolNFT v1 · #66577 · protein
The structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions
3HUD: “The structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions”. X-ray diffraction, 2 ligands (NAD, ZN), 6 pockets (best druggability 0.75). MolNFT v1 #66577 on GenesisL1: 3D…
- PDB
- 3HUD
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- P00325
- Ligands
- NAD, ZN
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 374 | 28% helix, 25% strand | P00325 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.75 | 0.82 | 67 | NAD |
| 2 | 439 | 0.74 | 0.83 | 55 | NAD |
| 3 | 620 | 0.70 | 0.78 | 59 | empty |
| 4 | 54 | 0.53 | 0.89 | 18 | empty |
| 5 | 58 | 0.51 | 0.87 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1723 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3HUD · The structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of… · 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 0.99
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 3HUD · PDBe 3HUD · UniProt P00325
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