Structure analysis

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

X-ray diffraction
2.79Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: monomeric
Accessible surface area: 6952.31 Å2
Buried surface area: 609.07 Å2
Dissociation area: 123.49 Å2
Dissociation energy (ΔGdiss): -3.13 kcal/mol
Dissociation entropy (TΔSdiss): 0.04 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-130112
Assembly 2 (preferred)
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Multimeric state: monomeric
Accessible surface area: 6863.95 Å2
Buried surface area: 643.05 Å2
Dissociation area: 124.16 Å2
Dissociation energy (ΔGdiss): -2.67 kcal/mol
Dissociation entropy (TΔSdiss): 0.04 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-130112
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 6963.99 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-130112

Macromolecules

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
Pfam: Bromodomain

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