› 8q34

X-ray diffraction
1.48Å resolution

Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a

Released:
DOI: 10.2210/pdb8q34/pdb
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PDB entry 8q34 coloured by chain, front view.
PDB entry 8q34 coloured by chain, side view.
PDB entry 8q34 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mapping protein binding sites by photoreactive fragment pharmacophores.
Ábrányi-Balogh P, Bajusz D, Orgován Z, Keeley AB, Petri L, Péczka N, Szalai TV, Pálfy G, Gadanecz M, Grant EK, Imre T, Takács T, Ranđelović I, Baranyi M, Marton A, Schlosser G, Ashraf QF, de Araujo ED, Karancsi T, Buday L, Tóvári J, Perczel A, Bush JT, Keserű GM
Commun Chem 7 168 (2024)
PMID: 39085342

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 130 amino acids
Theoretical weight: 15.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: O60885 (Residues: 44-171; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand EDO 4 x EDO
Ligand IX4 4 x IX4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P1
Unit cell:
a: 37.239Å b: 44.093Å c: 78.479Å
α: 90.033° β: 90° γ: 90.026°
R-values:
R R work R free
0.185 0.184 0.216
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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