MolNFT v1 · #171709 · protein
Tetragonal crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from comamonas testosteroni
6ZDZ: “Tetragonal crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from comamonas…”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.84). MolNFT v1 #171709 on GenesisL1: 3D structure, binding…
- PDB
- 6ZDZ
- Type
- protein
- Length
- 485 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- UniProt
- A0A2G6ZQ46
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase | protein | 243 | 54% helix, 14% strand | A0A2G6ZQ46 |
| B | Alcohol dehydrogenase | protein | 242 | 54% helix, 14% strand | A0A2G6ZQ46 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.84 | 0.98 | 20 | empty |
| 2 | 241 | 0.59 | 0.80 | 41 | SO4 |
| 3 | 265 | 0.57 | 0.77 | 44 | SO4 |
| 4 | 187 | 0.49 | 0.76 | 20 | empty |
| 5 | 76 | 0.37 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 3721 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 6ZDZ · Tetragonal 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 6ZDZ · PDBe 6ZDZ · UniProt A0A2G6ZQ46
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