MolNFT v1 · #9329 · protein
Human beta-1 alcohol dehydrogenase (ADH1B*1)
1HSZ · Class I alcohol dehydrogenase 1, beta subunit: “Human beta-1 alcohol dehydrogenase (ADH1B*1)”. X-ray diffraction, 3 ligands (NAD, ZN, PO4), 4 pockets (best druggability 0.75). MolNFT v1 #9329 on GenesisL1: 3D structure, binding…
- PDB
- 1HSZ
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class I alcohol dehydrogenase 1, beta subunit
- EC
- 1.1.1.1
- UniProt
- P00325
- Ligands
- NAD, ZN, PO4
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Class I alcohol dehydrogenase 1, beta subunit (EC 1.1.1.1) | protein | 374 | 30% helix, 26% 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
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.75 | 0.83 | 70 | NAD |
| 2 | 376 | 0.73 | 0.84 | 51 | NAD |
| 3 | 520 | 0.68 | 0.79 | 57 | empty |
| 4 | 58 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1757 Ų buried · 31 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 P00325
- Elsewhere: RCSB PDB 1HSZ · PDBe 1HSZ · UniProt P00325
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