› 5dw1

X-ray diffraction
1.55Å resolution

X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution

Released:
DOI: 10.2210/pdb5dw1/pdb
PDB entry 5dw1 coloured by chain, front view.
PDB entry 5dw1 coloured by chain, side view.
PDB entry 5dw1 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-150461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 113 amino acids
Theoretical weight: 13.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25440 (Residues: 345-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P1
Unit cell:
a: 56.289Å b: 57.318Å c: 62.033Å
α: 62.09° β: 72.08° γ: 66.08°
R-values:
R R work R free
0.161 0.159 0.195
Expression system: Escherichia coli BL21(DE3)

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Citations

10 review citations

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