MolNFT v1 · #104073 · protein
Crystal structure of P300 histone acetyltransferase domain in complex with an inhibitor, acetonyl-coenzyme a
4PZT · Histone acetyltransferase P300: “Crystal structure of P300 histone acetyltransferase domain in complex with an inhibitor, acetonyl-coenzyme a”. X-ray diffraction, 1 ligand (SOP), 4 pockets (best druggability 0.71). MolNFT v1 #104073…
- PDB
- 4PZT
- Type
- protein
- Length
- 334 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase P300
- EC
- 2.3.1.48
- UniProt
- Q09472
- Ligands
- SOP
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase P300 (EC 2.3.1.48) | protein | 334 | 41% helix, 20% strand | Q09472 |
Ligands and binding sites
- SOP · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 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 | 358 | 0.71 | 0.83 | 44 | SOP |
| 2 | 202 | 0.60 | 0.81 | 33 | DMS |
| 3 | 60 | 0.43 | 0.82 | 15 | empty |
| 4 | 66 | 0.32 | 0.75 | 14 | empty |
Compared structures
- 4PZT · Crystal structure of p300 histone acetyltransferase domain in complex with an inhibitor… · 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 4PZT · PDBe 4PZT · UniProt Q09472
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