MolNFT v1 · #12793 · protein
Galactoside acetyltransferase in complex with CoA and pnp-beta-gal
1KRV · Galactoside O-acetyltransferase: “Galactoside acetyltransferase in complex with CoA and pnp-beta-gal”. X-ray diffraction, 2 ligands (147, COA), 5 pockets (best druggability 0.84). MolNFT v1 #12793 on GenesisL1: 3D structure, binding…
- PDB
- 1KRV
- Type
- protein
- Length
- 603 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactoside O-acetyltransferase
- EC
- 2.3.1.18
- UniProt
- P07464
- Ligands
- 147, COA
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Galactoside O-acetyltransferase (EC 2.3.1.18) | protein | 201 | 19% helix, 29% strand | P07464 |
Ligands and binding sites
- 147 · 4-nitrophenyl beta-D-galactopyranoside · ligand · 3 copies · chains A, C, B
- COA · Coenzyme A · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.84 | 0.95 | 41 | empty |
| 2 | 796 | 0.76 | 0.80 | 75 | COA, 147 |
| 3 | 791 | 0.76 | 0.80 | 73 | 147, COA |
| 4 | 801 | 0.76 | 0.80 | 71 | COA, 147 |
| 5 | 60 | 0.27 | 0.73 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1520 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 1519 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1515 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1KRV · Galactoside Acetyltransferase in Complex with CoA and PNP-beta-Gal · the same entry in another collection · chain A against A, TM-score 1.00
- P07464 · AlphaFold monomer V2.0 prediction for galactoside O-acetyltransferase (P07464) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P07464
- Elsewhere: RCSB PDB 1KRV · PDBe 1KRV · UniProt P07464
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