Research workbench
Yeast alcohol dehydrogenase I, saccharomyces cerevisiae fermentative enzyme
Analyse Yeast alcohol dehydrogenase I, saccharomyces cerevisiae fermentative enzyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4W6Z
- Type
- protein
- Length
- 1,388 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase 1
- EC
- 1.1.1.1
- UniProt
- P00330
- Ligands
- 8ID, ZN
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Alcohol dehydrogenase 1 (EC 1.1.1.1) | protein | 347 | 29% helix, 30% strand | P00330 |
Ligands and binding sites
- 8ID · Nicotinamide-8-iodo-adenine-dinucleotide · ligand · 2 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
- ETF · Trifluoroethanol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.76 | 0.88 | 49 | 8ID, ETF |
| 2 | 434 | 0.74 | 0.83 | 66 | 8ID, ETF |
| 3 | 557 | 0.72 | 0.80 | 67 | ETF |
| 4 | 408 | 0.68 | 0.80 | 56 | ETF |
| 5 | 431 | 0.60 | 0.76 | 64 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1589 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 1585 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4W6Z · Yeast alcohol dehydrogenase I, saccharomyces cerevisiae fermentative enzyme · the same entry in another collection · chain D against D, TM-score 1.00
- P00330 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase 1 (P00330) · a predicted model of the same protein · chain B 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 P00330
- Elsewhere: RCSB PDB 4W6Z · PDBe 4W6Z · UniProt P00330
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