MolNFT v1 · #179265 · protein
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
7K0A: “Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA”. X-ray diffraction, 3 ligands (VQ1, COA, SO4), 4 pockets (best druggability 0.79). MolNFT v1 #179265 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7K0A
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Puromycin N-acetyltransferase
- EC
- 2.3.-.-
- UniProt
- P13249
- Ligands
- VQ1, COA, SO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Puromycin N-acetyltransferase (EC 2.3.-.-) | protein | 196 | 53% helix, 20% strand | P13249 |
Ligands and binding sites
- VQ1 · N-Acetylpuromycin · ligand · 2 copies · chains A, B
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 654 | 0.79 | 0.83 | 59 | VQ1, EDO, COA |
| 2 | 667 | 0.78 | 0.83 | 59 | VQ1, COA |
| 3 | 71 | 0.35 | 0.76 | 14 | SO4 |
| 4 | 74 | 0.33 | 0.75 | 18 | SO4 |
Interfaces
1 interface between chains.
- A–B · 482 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7K0A · Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA · the same entry in another collection · chain A against A, TM-score 1.00
- P13249 · AlphaFold monomer V2.0 prediction for puromycin N-acetyltransferase (P13249) · 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 P13249
- Elsewhere: RCSB PDB 7K0A · PDBe 7K0A · UniProt P13249
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