MolNFT v1 · #166662 · protein
Crystal structure of acetoin dehydrogenase from enterobacter cloacae
6UX3: “Crystal structure of acetoin dehydrogenase from enterobacter cloacae”. X-ray diffraction, 12 pockets (best druggability 0.84). MolNFT v1 #166662 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UX3
- Type
- protein
- Length
- 988 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetoin dehydrogenase
- UniProt
- A0A0H3CM71
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetoin dehydrogenase | protein | 244 | 44% helix, 17% strand | A0A0H3CM71 |
| B | Acetoin dehydrogenase | protein | 252 | 46% helix, 16% strand | A0A0H3CM71 |
| C | Acetoin dehydrogenase | protein | 245 | 45% helix, 17% strand | A0A0H3CM71 |
| D | Acetoin dehydrogenase | protein | 247 | 45% helix, 17% strand | A0A0H3CM71 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1174 | 0.84 | 0.85 | 78 | empty |
| 2 | 472 | 0.66 | 0.78 | 54 | empty |
| 3 | 384 | 0.66 | 0.79 | 51 | empty |
| 4 | 383 | 0.64 | 0.78 | 45 | empty |
| 5 | 384 | 0.62 | 0.77 | 48 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1790 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1739 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1598 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1541 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 655 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6UX3 · Crystal structure of acetoin dehydrogenase from Enterobacter cloacae · 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 A0A0H3CM71
- Elsewhere: RCSB PDB 6UX3 · PDBe 6UX3 · UniProt A0A0H3CM71
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