› 7vhz

X-ray diffraction
2Å resolution

Crystal structure of EP300 HAT domain in complex with compound 7

Released:
DOI: 10.2210/pdb7vhz/pdb
PDB entry 7vhz coloured by chain, front view.
PDB entry 7vhz coloured by chain, side view.
PDB entry 7vhz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Kanada R, Kagoshima Y, Asano M, Suzuki T, Murata T, Haruta M, Takahashi M, Ubukata O, Hashimoto K, Obata K, Kihara K, Kuroha M, Banjo T, Togashi N, Sato K, Yamamoto Y, Suzuki K, Isoyama T, Tominaga Y, Higuchi S, Naito H
Bioorg Med Chem Lett 66 128726 (2022)
PMID: 35413416

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170794 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone acetyltransferase p300 Chains: A, B
Molecule details ›
Chains: A, B
Length: 454 amino acids
Theoretical weight: 52.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q09472 (Residues: 1159-1519, 1581-1666; Coverage: 19%)
Gene names: EP300, P300
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 6 x ZN
Ligand 6TI 2 x 6TI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-1A
Spacegroup: P1
Unit cell:
a: 43.676Å b: 89.219Å c: 91.132Å
α: 114.99° β: 95.33° γ: 92.02°
R-values:
R R work R free
0.192 0.191 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links