› 8zmq

X-ray diffraction
2.2Å resolution

Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190

Released:
DOI: 10.2210/pdb8zmq/pdb
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PDB entry 8zmq coloured by chain, front view.
PDB entry 8zmq coloured by chain, side view.
PDB entry 8zmq 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, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Length: 147 amino acids
Theoretical weight: 17.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 333-460; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand A1L12 20 x A1L12
Ligand DMS 5 x DMS
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: C2
Unit cell:
a: 115.913Å b: 125.108Å c: 300.352Å
α: 90° β: 90.04° γ: 90°
R-values:
R R work R free
0.257 0.256 0.274
Expression system: Escherichia coli

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