MolNFT v1 · #102026 · protein
Crystal structure of beta-ketothiolase (phaa) from ralstonia eutropha H16
4O9A · Acetyl-CoA acetyltransferase: “Crystal structure of beta-ketothiolase (phaa) from ralstonia eutropha H16”. X-ray diffraction, 15 pockets (best druggability 0.66). MolNFT v1 #102026 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4O9A
- Type
- protein
- Length
- 1,568 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA acetyltransferase
- EC
- 2.3.1.9
- UniProt
- P14611
- Pockets
- 15 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acetyl-CoA acetyltransferase (EC 2.3.1.9) | protein | 392 | 38% helix, 24% strand | P14611 |
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.66 | 0.84 | 33 | empty |
| 2 | 233 | 0.62 | 0.81 | 40 | empty |
| 3 | 173 | 0.61 | 0.83 | 30 | empty |
| 4 | 194 | 0.61 | 0.82 | 38 | empty |
| 5 | 229 | 0.55 | 0.78 | 39 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2613 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 2599 Ų buried · 57 hydrogen bonds · protein-protein
- B–C · 702 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 673 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 286 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4O9A · Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16 · the same entry in another collection · chain A against A, TM-score 1.00
- P14611 · AlphaFold monomer V2.0 prediction for acetyl-CoA acetyltransferase (P14611) · a predicted model of the same protein · 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 P14611
- Elsewhere: RCSB PDB 4O9A · PDBe 4O9A · UniProt P14611
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