› 4j1p

X-ray diffraction
1.08Å resolution

X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution

Released:
DOI: 10.2210/pdb4j1p/pdb
Model geometry
Fit model/data
PDB entry 4j1p coloured by chain, front view.
PDB entry 4j1p coloured by chain, side view.
PDB entry 4j1p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
RVX-208, an inducer of ApoA-I in humans, is a BET bromodomain antagonist.
McLure KG, Gesner EM, Tsujikawa L, Kharenko OA, Attwell S, Campeau E, Wasiak S, Stein A, White A, Fontano E, Suto RK, Wong NC, Wagner GS, Hansen HC, Young PR
OpenAccess logo PLoS One 8 e83190 (2013)
PMID: 24391744

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: 114 amino acids
Theoretical weight: 13.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25440 (Residues: 344-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 1K0 1 x 1K0
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2221
Unit cell:
a: 51.1Å b: 66.35Å c: 75.854Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.13 0.128 0.159
Expression system: Escherichia coli BL21(DE3)

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Citations

40 review citations

Targeting bromodomains: epigenetic readers of lysine acetylation.
Filippakopoulos et al. (2014)
39 more

6 mentions without citation

Selectivity on-target of bromodomain chemical probes by structure-guided medicinal chemistry and chemical biology.
Galdeano et al. (2016)
5 more