› 8idh

X-ray diffraction
1.57Å resolution

Bromodomain and Extra-terminal Domain (BET) BRD4

Released:
DOI: 10.2210/pdb8idh/pdb
Model geometry
Fit model/data
PDB entry 8idh coloured by chain, front view.
PDB entry 8idh coloured by chain, side view.
PDB entry 8idh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1H-Imidazo[4,5-b]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
Chen X, Cao D, Liu C, Meng F, Zhang Z, Xu R, Tong Y, Xin Y, Zhang W, Kang W, Bao Q, Shen J, Xiong B, You Q, Jiang Z
J Med Chem 66 8725-8744 (2023)
PMID: 37382379

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 Chain: A
Molecule details ›
Chain: A
Length: 112 amino acids
Theoretical weight: 13.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 349-460; Coverage: 8%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

1 bound ligand:
Ligand OWO 1 x OWO
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: P21212
Unit cell:
a: 52.591Å b: 71.929Å c: 32.044Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.221 0.252
Expression system: Escherichia coli

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