› 7mr7

X-ray diffraction
1.4Å resolution

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075

Released:
DOI: 10.2210/pdb7mr7/pdb
PDB entry 7mr7 coloured by chain, front view.
PDB entry 7mr7 coloured by chain, side view.
PDB entry 7mr7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
Guan X, Cheryala N, Karim RM, Chan A, Berndt N, Qi J, Georg GI, Schönbrunn E
J Med Chem (2022)
PMID: 35867655

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-130144 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 127 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand EDO 3 x EDO
Ligand ZN1 1 x ZN1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P1
Unit cell:
a: 30.281Å b: 39.895Å c: 57.456Å
α: 100.03° β: 104.5° γ: 90.18°
R-values:
R R work R free
0.177 0.176 0.194
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

BET Bromodomain Inhibitors: Novel Design Strategies and Therapeutic Applications.
To et al. (2023)
2 more