› 4uye

X-ray diffraction
1.65Å resolution

BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide

Released:
DOI: 10.2210/pdb4uye/pdb
PDB 4uye coloured by chain and viewed from the front.
PDB 4uye coloured by chain and viewed from the side.
PDB 4uye coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain.
Demont EH, Bamborough P, Chung CW, Craggs PD, Fallon D, Gordon LJ, Grandi P, Hobbs CI, Hussain J, Jones EJ, Le Gall A, Michon AM, Mitchell DJ, Prinjha RK, Roberts AD, Sheppard RJ, Watson RJ
ACS Med Chem Lett 5 1190-1195 (2014)
PMID: 25408830

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peregrin Chains: A, B
Molecule details ›
Chains: A, B
Length: 118 amino acids
Theoretical weight: 13.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55201 (Residues: 622-738; Coverage: 10%)
Gene names: BR140, BRPF1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand EDO 1 x EDO
Ligand 9F9 2 x 9F9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 89.06Å b: 68.12Å c: 58.75Å
α: 90° β: 126.1° γ: 90°
R-values:
R R work R free
0.177 0.176 0.201
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Bromodomain biology and drug discovery.
Zaware et al. (2019)
9 more

3 mentions without citation

Selectivity on-target of bromodomain chemical probes by structure-guided medicinal chemistry and chemical biology.
Galdeano et al. (2016)
2 more