› 4flp

X-ray diffraction
2.23Å resolution

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

Released:
DOI: 10.2210/pdb4flp/pdb
PDB entry 4flp coloured by chain, front view.
PDB entry 4flp coloured by chain, side view.
PDB entry 4flp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small-molecule inhibition of BRDT for male contraception.
Matzuk MM, McKeown MR, Filippakopoulos P, Li Q, Ma L, Agno JE, Lemieux ME, Picaud S, Yu RN, Qi J, Knapp S, Bradner JE
Cell 150 673-84 (2012)
PMID: 22901802

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176744 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain testis-specific protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 119 amino acids
Theoretical weight: 14.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q58F21 (Residues: 21-137; Coverage: 12%)
Gene name: BRDT
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Unit cell:
a: 37.4Å b: 57.42Å c: 128.69Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.211 0.255
Expression system: Escherichia coli

Quick links

Citations

72 review citations

The growing landscape of lysine acetylation links metabolism and cell signalling.
Choudhary et al. (2014)
71 more

10 mentions without citation

Small-molecule inhibition of BRDT for male contraception.
Matzuk et al. (2012)
9 more