› 3s91

X-ray diffraction
2.06Å resolution

Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1

Released:
DOI: 10.2210/pdb3s91/pdb
PDB entry 3s91 coloured by chain, front view.
PDB entry 3s91 coloured by chain, side view.
PDB entry 3s91 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Filippakopoulos P, Picaud S, Qi J, Keates T, Felletar I, Fedorov O, Muniz J, von Delft F, Arrowsmith CH, Edwards AM, Weigelt J, Bountra C, Bradner JE, Knapp S, Structural Genomics Consortium (SGC)

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172182 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 3 Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 14.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15059 (Residues: 24-144; Coverage: 17%)
Gene names: BRD3, KIAA0043, RING3L
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand JQ1 1 x JQ1
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P6522
Unit cell:
a: 86.56Å b: 86.56Å c: 76.891Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.195 0.232
Expression system: Escherichia coli

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