Research workbench
Crystal structure of the galactoside O-acetyltransferase in complex with CoA
Analyse Crystal structure of the galactoside O-acetyltransferase in complex with CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V4E
- Type
- protein
- Length
- 564 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactoside O-acetyltransferase
- EC
- 2.3.1.-
- UniProt
- Q5HCZ5
- Ligands
- COA, SO4
- Pockets
- 3 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Galactoside O-acetyltransferase (EC 2.3.1.-) | protein | 188 | 22% helix, 30% strand | Q5HCZ5 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 3 copies · chains A, C, B
- SO4 · Sulfate ion · ion · chains A, C
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 923 | 0.88 | 0.90 | 130 | PEG, SO4 |
| 2 | 283 | 0.77 | 0.89 | 41 | empty |
| 3 | 71 | 0.74 | 0.98 | 24 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1232 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1227 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1226 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3V4E · Crystal Structure of the galactoside O-acetyltransferase in complex with CoA · the same entry in another collection · chain A against A, TM-score 1.00
- Q5HCZ5 · AlphaFold monomer V2.0 prediction for putative acetyltransferase SACOL2570 (Q5HCZ5) · a predicted model of the same protein · chain C 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 Q5HCZ5
- Elsewhere: RCSB PDB 3V4E · PDBe 3V4E · UniProt Q5HCZ5
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