› 7xne

X-ray diffraction
2.17Å resolution

Crystal structure of CBP bromodomain liganded with Y08284

Released:
DOI: 10.2210/pdb7xne/pdb
PDB entry 7xne coloured by chain, front view.
PDB entry 7xne coloured by chain, side view.
PDB entry 7xne coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
Xiang Q, Wang C, Wu T, Zhang C, Hu Q, Luo G, Hu J, Zhuang X, Zou L, Shen H, Wu X, Zhang Y, Kong X, Liu J, Xu Y
J Med Chem 65 785-810 (2022)
PMID: 34962793

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
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187753 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CREB-binding protein Chains: A, B
Molecule details ›
Chains: A, B
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 GHF 2 x GHF
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P212121
Unit cell:
a: 47.385Å b: 63.267Å c: 97.288Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.199 0.259
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Bromodomain inhibitors and therapeutic applications.
Gajjela et al. (2023)
1 more