› 5mlj

X-ray diffraction
1.8Å resolution

Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one

Released:
DOI: 10.2210/pdb5mlj/pdb
PDB entry 5mlj coloured by chain, front view.
PDB entry 5mlj coloured by chain, side view.
PDB entry 5mlj 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

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
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-187767 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone acetyltransferase KAT2A Chains: A, B
Molecule details ›
Chains: A, B
Length: 112 amino acids
Theoretical weight: 13.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92830 (Residues: 729-837; Coverage: 13%)
Gene names: GCN5, GCN5L2, KAT2A
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand 9ST 2 x 9ST
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 45.63Å b: 74Å c: 76.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.211
Expression system: Escherichia coli

Quick links

Citations

11 review citations

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

4 mentions without citation

Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains.
Johnson et al. (2020)
3 more