MolNFT v1 · #171710 · protein
Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from comamonas testosteroni
6ZE0: “Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from comamonas…”. X-ray diffraction, 5 pockets (best druggability 0.84). MolNFT v1 #171710 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6ZE0
- Type
- protein
- Length
- 750 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- UniProt
- A0A2G6ZQ46
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase | protein | 249 | 54% helix, 15% strand | A0A2G6ZQ46 |
| B | Alcohol dehydrogenase | protein | 250 | 54% helix, 16% strand | A0A2G6ZQ46 |
| C | Alcohol dehydrogenase | protein | 251 | 54% helix, 14% strand | A0A2G6ZQ46 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.84 | 0.98 | 24 | empty |
| 2 | 1056 | 0.77 | 0.79 | 111 | empty |
| 3 | 290 | 0.57 | 0.77 | 39 | empty |
| 4 | 266 | 0.57 | 0.77 | 35 | empty |
| 5 | 50 | 0.33 | 0.78 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3748 Ų buried · 55 hydrogen bonds · protein-protein
- A–C · 328 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 48 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ZE0 · Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A2G6ZQ46
- Elsewhere: RCSB PDB 6ZE0 · PDBe 6ZE0 · UniProt A0A2G6ZQ46
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