› 5g4s

X-ray diffraction
1.6Å resolution

BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide

Released:
DOI: 10.2210/pdb5g4s/pdb
PDB entry 5g4s coloured by chain, front view.
PDB entry 5g4s coloured by chain, side view.
PDB entry 5g4s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain.
Bamborough P, Barnett HA, Becher I, Bird MJ, Chung CW, Craggs PD, Demont EH, Diallo H, Fallon DJ, Gordon LJ, Grandi P, Hobbs CI, Hooper-Greenhill E, Jones EJ, Law RP, Le Gall A, Lugo D, Michon AM, Mitchell DJ, Prinjha RK, Sheppard RJ, Watson AJ, Watson RJ
ACS Med Chem Lett 7 552-7 (2016)
PMID: 27326325

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-157220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peregrin Chain: A
Molecule details ›
Chain: A
Length: 118 amino acids
Theoretical weight: 13.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55201 (Residues: 624-738; Coverage: 10%)
Gene names: BR140, BRPF1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 8VI 1 x 8VI
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P43212
Unit cell:
a: 60.53Å b: 60.53Å c: 85.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.187 0.194
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Chemical probes and inhibitors of bromodomains outside the BET family.
Moustakim et al. (2016)
11 more

1 mention without citation

GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain.
Bamborough et al. (2016)