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Crystal structure of the first bromodomain of human BRD4 bound to benzotriazolo-diazepine scaffold

X-ray diffraction
1.399Å resolution
PDB entry 4z1q coloured by chain, front view.
PDB entry 4z1q coloured by chain, side view.
PDB entry 4z1q coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Bromodomain-containing protein 4
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Multimeric state: monomeric
Accessible surface area: 7488.82 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
Assembly 2
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Assembly Name: Bromodomain-containing protein 4
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Multimeric state: monomeric
Accessible surface area: 7642.08 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

Bromodomain-containing protein 4
Chains: A, B
Length: 127 amino acids
Theoretical weight: 15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 42-167; Coverage: 9%)
Gene names: BRD4, HUNK1
Pfam: Bromodomain
InterPro:
CATH: Bromodomain-like
Bromodomain-containing protein 4 in PDB entry 4z1q, assembly 1, front view.
Bromodomain-containing protein 4 in PDB entry 4z1q, assembly 1, side view.
Bromodomain-containing protein 4 in PDB entry 4z1q, assembly 1, top view.
PDBe-KB: UniProt Coverage View: O60885  
1127102030405060708090100110120
 
50100
UniProt
O60885
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
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