› 5ig6

X-ray diffraction
0.91Å resolution

Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3

Released:
DOI: 10.2210/pdb5ig6/pdb
PDB entry 5ig6 coloured by chain, front view.
PDB entry 5ig6 coloured by chain, side view.
PDB entry 5ig6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex.
Tripathi S, Mathur S, Deshmukh P, Manjula R, Padmanabhan B
PLoS One 11 e0156344 (2016)
PMID: 27243809

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-150461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chain: A
Molecule details ›
Chain: A
Length: 115 amino acids
Theoretical weight: 13.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25440 (Residues: 348-454; Coverage: 13%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand CL 2 x CL
Ligand GOL 2 x GOL
Ligand 6B3 1 x 6B3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Unit cell:
a: 32Å b: 52.37Å c: 71.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.126 0.125 0.143
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
1 more

3 mentions without citation

Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Slavish et al. (2020)
2 more