MolNFT v1 · #88454 · protein
Crystal structure of quinone-dependent alcohol dehydrogenase from pseudogluconobacter saccharoketogenenes
4CVB: “Crystal structure of quinone-dependent alcohol dehydrogenase from pseudogluconobacter saccharoketogenenes”. X-ray diffraction, 4 ligands (PQQ, ZN, CA), 2 pockets (best druggability 0.60). MolNFT v1 #88454 on GenesisL1: 3D structure…
- PDB
- 4CVB
- Type
- protein
- Length
- 562 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.2.8
- UniProt
- Q93RE9
- Ligands
- PQQ, ZN, CA, CL
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase (EC 1.1.2.8) | protein | 562 | 7% helix, 38% strand | Q93RE9 |
Ligands and binding sites
- PQQ · Pyrroloquinoline quinone · ligand · chains A
- ZN · Zinc ion · metal · 4 copies · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- PPI · Propanoic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.60 | 0.79 | 36 | PQQ |
| 2 | 106 | 0.34 | 0.73 | 26 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4CVB · Crystal structure of qui -dependent alcohol dehydrogenase from Pseudogluconobacter… · 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 Q93RE9
- Elsewhere: RCSB PDB 4CVB · PDBe 4CVB · UniProt Q93RE9
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