Research workbench
Crystal structure of quinone-dependent alcohol dehydrogenase from pseudogluconobacter saccharoketogenenes with zinc in the active site
Analyse Crystal structure of quinone-dependent alcohol dehydrogenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CVC
- 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, CL
- Pockets
- 2 · best druggability 0.61
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 · 7 copies · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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 | 216 | 0.61 | 0.81 | 38 | PEG, PQQ |
| 2 | 86 | 0.31 | 0.73 | 22 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4CVC · 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 4CVC · PDBe 4CVC · UniProt Q93RE9
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