MolNFT v1 · #117964 · protein
Yeast alcohol dehydrogenase with bound coenzyme
5ENV · Alcohol dehydrogenase 1: “Yeast alcohol dehydrogenase with bound coenzyme”. X-ray diffraction, 2 ligands (NAD, ZN), 5 pockets (best druggability 0.77). MolNFT v1 #117964 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ENV
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase 1
- EC
- 1.1.1.1
- UniProt
- P00330
- Ligands
- NAD, ZN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase 1 (EC 1.1.1.1) | protein | 347 | 29% helix, 29% strand | P00330 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- ETF · Trifluoroethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.77 | 0.87 | 58 | NAD, ETF |
| 2 | 605 | 0.76 | 0.82 | 67 | NAD, ETF |
| 3 | 433 | 0.59 | 0.75 | 60 | empty |
| 4 | 166 | 0.45 | 0.75 | 22 | empty |
| 5 | 79 | 0.35 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1569 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 P00330
- Elsewhere: RCSB PDB 5ENV · PDBe 5ENV · UniProt P00330
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