› 5mkx

X-ray diffraction
1.68Å resolution

1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one

Released:
DOI: 10.2210/pdb5mkx/pdb
PDB entry 5mkx coloured by chain, front view.
PDB entry 5mkx coloured by chain, side view.
PDB entry 5mkx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK
J Med Chem 60 695-709 (2017)
PMID: 28002667

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
UniProt:
  • Canonical: Q92831 (Residues: 715-831; Coverage: 14%)
Gene names: KAT2B, PCAF
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

4 bound ligands:
Ligand 82I 2 x 82I
Ligand SO4 1 x SO4
Ligand EPE 1 x EPE
Ligand BU1 1 x BU1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: R3
Unit cell:
a: 99.264Å b: 99.264Å c: 100.378Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.182 0.206
Expression system: Escherichia coli

Quick links

Citations

12 review citations

PROTACs: An Emerging Therapeutic Modality in Precision Medicine.
Nalawansha et al. (2020)
11 more

1 mention without citation

Enhanced Accumulation of Cisplatin in Ovarian Cancer Cells from Combination with Wedelolactone and Resulting Inhibition of Multiple Epigenetic Drivers.
Sarwar et al. (2021)