› 9juy

X-ray diffraction
1.42Å resolution

X-ray crystal structure of Y16513 in CBP

Released:
DOI: 10.2210/pdb9juy/pdb
Model geometry
Fit model/data
PDB entry 9juy coloured by chain, front view.
PDB entry 9juy coloured by chain, side view.
PDB entry 9juy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Hu JK, Tang X, Luo GL, Zhang C, Wu TB, Wang C, Shen H, Zhao XF, Wu XS, Smaill JB, Xu Y, Zhang Y, Xiang QP
Acta Pharmacol Sin (2025)
PMID: 39890943

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187751 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CREB-binding protein Chain: A
Molecule details ›
Chain: A
Length: 133 amino acids
Theoretical weight: 15.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92793 (Residues: 1081-1197; Coverage: 5%)
Gene names: CBP, CREBBP
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand A1EDO 1 x A1EDO
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: I222
Unit cell:
a: 48.45Å b: 56.35Å c: 114.644Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.227
Expression system: Escherichia coli

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