MolNFT v1 · #111960 · protein
Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. tae 123
4Z6K: “Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. tae 123”. X-ray diffraction, 1 ligand (ZN), 13 pockets (best druggability 0.80). MolNFT v1 #111960 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z6K
- Type
- protein
- Length
- 1,370 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- Q8GIX7
- Ligands
- ZN
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 345 | 30% helix, 26% strand | Q8GIX7 |
| B, D | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 340 | 30% helix, 27% strand | Q8GIX7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.80 | 0.84 | 94 | empty |
| 2 | 769 | 0.80 | 0.83 | 98 | empty |
| 3 | 939 | 0.80 | 0.82 | 107 | empty |
| 4 | 1129 | 0.80 | 0.81 | 122 | empty |
| 5 | 419 | 0.64 | 0.78 | 45 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1506 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1491 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 579 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 578 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 400 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4Z6K · Alcohol dehydrogenase from the antarctic psychrophile Moraxella sp. TAE 123 · the same entry in another collection · chain D against D, TM-score 1.00
- Q8GIX7 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase (Q8GIX7) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q8GIX7
- Elsewhere: RCSB PDB 4Z6K · PDBe 4Z6K · UniProt Q8GIX7
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