› 5fe7

X-ray diffraction
2.08Å resolution

Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11)

Released:
DOI: 10.2210/pdb5fe7/pdb
PDB entry 5fe7 coloured by chain, front view.
PDB entry 5fe7 coloured by chain, side view.
PDB entry 5fe7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
Chaikuad A, Lang S, Brennan PE, Temperini C, Fedorov O, Hollander J, Nachane R, Abell C, Müller S, Siegal G, Knapp S
J Med Chem 59 1648-53 (2016)
PMID: 26731131

Function and Biology Details

Reactions catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Acetyl-CoA + an alkane-alpha,omega-diamine = CoA + an N-acetyldiamine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187769 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone acetyltransferase KAT2B Chains: A, B
Molecule details ›
Chains: A, B
Length: 119 amino acids
Theoretical weight: 14.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92831 (Residues: 715-831; Coverage: 14%)
Gene names: KAT2B, PCAF
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand EDO 3 x EDO
Ligand 5WU 1 x 5WU
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R3
Unit cell:
a: 99.61Å b: 99.61Å c: 101.554Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.173 0.171 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Bromodomain inhibitors and cancer therapy: From structures to applications.
Pérez-Salvia et al. (2017)
2 more

1 mention without citation

Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
Chaikuad et al. (2016)