MolNFT v1 · #53120 · protein
Biosynthetic thiolase from Z. ramigera. complex of the H348N mutant with coenzyme a.
2WL5 · Acetyl-CoA acetyltransferase: “Biosynthetic thiolase from Z. ramigera. complex of the H348N mutant with coenzyme a.”. X-ray diffraction, 5 ligands (DNO, COA, NA), 17 pockets (best druggability 0.80). MolNFT v1 #53120 on GenesisL1…
- PDB
- 2WL5
- 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
- Ligands
- DNO, COA, NA, SO4, CL
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% 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, 24% strand | P07097 |
Ligands and binding sites
- DNO · D-mannose · ligand · 4 copies · chains A, B, C, D
- COA · Coenzyme A · ligand · 2 copies · chains A, C, D, B
- NA · Sodium ion · metal · chains B
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, C, D
- CL · Chloride ion · ion
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 123 | 0.80 | 0.98 | 35 | empty |
| 2 | 119 | 0.79 | 0.98 | 37 | empty |
| 3 | 147 | 0.62 | 0.84 | 31 | empty |
| 4 | 130 | 0.62 | 0.85 | 28 | empty |
| 5 | 178 | 0.60 | 0.82 | 37 | COA |
Interfaces
6 interfaces between chains.
- C–D · 2659 Ų buried · 70 hydrogen bonds · protein-protein
- A–B · 2648 Ų buried · 76 hydrogen bonds · protein-protein
- B–C · 704 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 653 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 323 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 2WL5 · Biosynthetic thiolase from Z. ramigera. complex of the H348N mutant with coenzyme a. · 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 2WL5 · PDBe 2WL5 · UniProt P07097
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.