MolNFT v1 · #53121 · protein
Biosynthetic thiolase from Z. ramigera. the N316H-H348N mutant.
2WL6 · Acetyl-CoA acetyltransferase: “Biosynthetic thiolase from Z. ramigera. the N316H-H348N mutant.”. X-ray diffraction, 17 pockets (best druggability 0.79). MolNFT v1 #53121 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WL6
- Type
- protein
- Length
- 1,556 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
- P07097
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acetyl-CoA acetyltransferase (EC 2.3.1.9) | protein | 389 | 40% helix, 23% strand | P07097 |
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.79 | 0.98 | 33 | empty |
| 2 | 117 | 0.79 | 0.98 | 34 | empty |
| 3 | 151 | 0.64 | 0.85 | 31 | empty |
| 4 | 143 | 0.63 | 0.85 | 32 | empty |
| 5 | 149 | 0.62 | 0.85 | 29 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2680 Ų buried · 65 hydrogen bonds · protein-protein
- C–D · 2673 Ų buried · 66 hydrogen bonds · protein-protein
- B–C · 687 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 668 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 288 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2WL6 · Biosynthetic thiolase from Z. ramigera. the N316H-H348N mutant. · the same entry in another collection · chain A against A, TM-score 1.00
- P07097 · AlphaFold monomer V2.0 prediction for acetyl-CoA acetyltransferase (P07097) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P07097
- Elsewhere: RCSB PDB 2WL6 · PDBe 2WL6 · UniProt P07097
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