MolNFT v1 · #165289 · protein
Alcohol dehydrogenase from candida magnoliae dsmz 70638 (adha): thermostable 10FOLD mutant
6TQ8 · Enzyme subunit: “Alcohol dehydrogenase from candida magnoliae dsmz 70638 (adha): thermostable 10FOLD mutant”. X-ray diffraction, 11 pockets (best druggability 0.85). MolNFT v1 #165289 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6TQ8
- Type
- protein
- Length
- 968 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enzyme subunit
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enzyme subunit | protein | 246 | 41% helix, 17% strand | — |
| B, C | Enzyme subunit | protein | 241 | 42% helix, 17% strand | — |
| D | Enzyme subunit | protein | 240 | 41% helix, 16% strand | — |
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1174 | 0.85 | 0.86 | 75 | empty |
| 2 | 409 | 0.75 | 0.84 | 45 | empty |
| 3 | 165 | 0.67 | 0.87 | 37 | empty |
| 4 | 189 | 0.62 | 0.83 | 32 | empty |
| 5 | 144 | 0.55 | 0.82 | 31 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1584 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1541 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 1185 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1171 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 195 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6TQ8 · Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): thermostable 10fold mutant · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 6TQ8 · PDBe 6TQ8
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