Research workbench
Biosynthetic thiolase from Z. ramigera. complex of the C89A mutant with coenzyme a.
Analyse Biosynthetic thiolase from Z. ramigera. complex of the C89A mutant with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VTZ
- 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
- COA, SO4
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 39% 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 | 39% helix, 24% strand | P07097 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 4 copies · chains A, C, D, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 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 | 36 | empty |
| 2 | 106 | 0.78 | 0.98 | 37 | empty |
| 3 | 163 | 0.65 | 0.85 | 30 | empty |
| 4 | 178 | 0.63 | 0.83 | 30 | COA |
| 5 | 223 | 0.63 | 0.82 | 41 | COA |
Interfaces
6 interfaces between chains.
- C–D · 2663 Ų buried · 76 hydrogen bonds · protein-protein
- A–B · 2625 Ų buried · 71 hydrogen bonds · protein-protein
- B–C · 671 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 607 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 307 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2VTZ · Biosynthetic thiolase from Z. ramigera. Complex of the C89A 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 2VTZ · PDBe 2VTZ · UniProt P07097
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