› 6v90

X-ray diffraction
2.04Å resolution

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12

Released:
DOI: 10.2210/pdb6v90/pdb
Model geometry
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PDB entry 6v90 coloured by chain, front view.
PDB entry 6v90 coloured by chain, side view.
PDB entry 6v90 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Huhn AJ, Gardberg AS, Poy F, Brucelle F, Vivat V, Cantone N, Patel G, Patel C, Cummings R, Sims R, Levell J, Audia JE, Bommi-Reddy A, Wilson JE
ChemMedChem 15 955-960 (2020)
PMID: 32181984

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 Chain: A
Molecule details ›
Chain: A
Length: 349 amino acids
Theoretical weight: 40.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q09472 (Residues: 1287-1666; Coverage: 14%)
Gene names: EP300, P300
Sequence domains: Histone acetylation protein

Ligands and Environments

3 bound ligands:
Ligand QSD 1 x QSD
Ligand SO4 2 x SO4
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: C2221
Unit cell:
a: 45.36Å b: 104.639Å c: 168.863Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.241
Expression system: Escherichia coli

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Citations

2 citation in other articles

Discovery of CPI-1612: A Potent, Selective, and Orally Bioavailable EP300/CBP Histone Acetyltransferase Inhibitor.
Wilson et al. (2020)
1 more

2 mentions without citation

The Biological Significance of Targeting Acetylation-Mediated Gene Regulation for Designing New Mechanistic Tools and Potential Therapeutics.
O'Garro et al. (2021)
1 more

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