› 6k05

X-ray diffraction
1.94Å resolution

Crystal structure of BRD2(BD1)with ligand BY27 bound

Released:
DOI: 10.2210/pdb6k05/pdb
PDB entry 6k05 coloured by chain, front view.
PDB entry 6k05 coloured by chain, side view.
PDB entry 6k05 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Chen D, Lu T, Yan Z, Lu W, Zhou F, Lyu X, Xu B, Jiang H, Chen K, Luo C, Zhao Y
Eur J Med Chem 182 111633 (2019)
PMID: 31461688

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 122 amino acids
Theoretical weight: 14.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P25440 (Residues: 73-194; Coverage: 15%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand CQF 2 x CQF
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 115.133Å b: 55.735Å c: 67.434Å
α: 90° β: 94.33° γ: 90°
R-values:
R R work R free
0.186 0.185 0.21
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Inhibitors of bromodomain and extra-terminal proteins for treating multiple human diseases.
Kulikowski et al. (2021)
8 more