› 5dw2

X-ray diffraction
1.12Å resolution

X-ray crystal structure of human BRD4(BD1) in complex with RVX297 to 1.12 A resolution

Released:
DOI: 10.2210/pdb5dw2/pdb
PDB entry 5dw2 coloured by chain, front view.
PDB entry 5dw2 coloured by chain, side view.
PDB entry 5dw2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Kharenko OA, Gesner EM, Patel RG, Norek K, White A, Fontano E, Suto RK, Young PR, McLure KG, Hansen HC
Biochem Biophys Res Commun 477 62-67 (2016)
PMID: 27282480

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-130112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 129 amino acids
Theoretical weight: 15.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-170; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 5GD 1 x 5GD
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 37.279Å b: 44.656Å c: 78.015Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.124 0.123 0.151
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Targeting Cancer Cells with BET Bromodomain Inhibitors.
Xu et al. (2017)
9 more

1 mention without citation

The role of loop dynamics in the prediction of ligand-protein binding enthalpy.
Çınaroğlu et al. (2023)