Research workbench
Crystal structure of acetyl-CoA acetyltransferase from mycobacterium avium
Analyse Crystal structure of acetyl-CoA acetyltransferase from mycobacterium avium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SVK
- Type
- protein
- Length
- 719 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA acetyltransferase
- EC
- 2.3.1.9
- UniProt
- A0QBF2
- Ligands
- CL
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA acetyltransferase (EC 2.3.1.9) | protein | 360 | 37% helix, 23% strand | A0QBF2 |
| B | Acetyl-CoA acetyltransferase (EC 2.3.1.9) | protein | 359 | 37% helix, 23% strand | A0QBF2 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.70 | 0.84 | 50 | empty |
| 2 | 350 | 0.65 | 0.80 | 47 | empty |
| 3 | 125 | 0.47 | 0.79 | 21 | empty |
| 4 | 134 | 0.46 | 0.78 | 21 | empty |
| 5 | 55 | 0.34 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1114 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3SVK · Crystal structure of Acetyl-CoA acetyltransferase from Mycobacterium avium · 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 A0QBF2
- Elsewhere: RCSB PDB 3SVK · PDBe 3SVK · UniProt A0QBF2
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