MolNFT v1 · #160252 · protein
Crystal structure of the P300 acetyltransferase domain with allosteric inhibitor cpi-090 and CoA
6PF1 · Histone acetyltransferase P300: “Crystal structure of the P300 acetyltransferase domain with allosteric inhibitor cpi-090 and CoA”. X-ray diffraction, 2 ligands (COA, OJ7), 8 pockets (best druggability 0.77). MolNFT v1 #160252 on…
- PDB
- 6PF1
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase P300
- EC
- 2.3.1.48
- UniProt
- Q09472
- Ligands
- COA, OJ7
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase P300 (EC 2.3.1.48) | protein | 322 | 44% helix, 20% strand | Q09472 |
| B | Histone acetyltransferase P300 (EC 2.3.1.48) | protein | 318 | 42% helix, 20% strand | Q09472 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- OJ7 · 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole · ligand · 2 copies · chains A, 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.77 | 0.80 | 82 | COA |
| 2 | 391 | 0.72 | 0.83 | 47 | COA |
| 3 | 254 | 0.68 | 0.84 | 33 | OJ7 |
| 4 | 279 | 0.66 | 0.82 | 35 | OJ7 |
| 5 | 100 | 0.40 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 208 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6PF1 · Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090… · the same entry in another collection · chain A against A, TM-score 1.00
- Q09472 · AlphaFold monomer V2.0 prediction for histone acetyltransferase P300 (Q09472) · 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 Q09472
- Elsewhere: RCSB PDB 6PF1 · PDBe 6PF1 · UniProt Q09472
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