› 8zmb

X-ray diffraction
2.79Å resolution

Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13195

Released:
DOI: 10.2210/pdb8zmb/pdb
Model geometry
Fit model/data
PDB entry 8zmb coloured by chain, front view.
PDB entry 8zmb coloured by chain, side view.
PDB entry 8zmb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
Li J, Hu Q, Zhu R, Dong R, Shen H, Hu J, Zhang C, Zhang X, Xu T, Xiang Q, Zhang Y, Lin B, Zhao L, Wu X, Xu Y
J Med Chem (2024)
PMID: 39602227

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
Molecule details ›
Chains: A, B, C
Length: 141 amino acids
Theoretical weight: 16.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand A1L0Y 3 x A1L0Y
Ligand DMS 3 x DMS
Ligand PO4 3 x PO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P6122
Unit cell:
a: 140.99Å b: 140.99Å c: 132.27Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.204 0.202 0.244
Expression system: Escherichia coli

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