› 4z93

X-ray diffraction
1.27Å resolution

BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.

Released:
DOI: 10.2210/pdb4z93/pdb
PDB entry 4z93 coloured by chain, front view.
PDB entry 4z93 coloured by chain, side view.
PDB entry 4z93 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of γ-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
Ran X, Zhao Y, Liu L, Bai L, Yang CY, Zhou B, Meagher JL, Chinnaswamy K, Stuckey JA, Wang S
J Med Chem 58 4927-39 (2015)
PMID: 26080064

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-130112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 112 amino acids
Theoretical weight: 13.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 349-460; Coverage: 8%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 4LD 1 x 4LD
Ligand EDO 1 x EDO
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21212
Unit cell:
a: 51.862Å b: 72.696Å c: 32.115Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.156 0.184
Expression system: Escherichia coli

Quick links

Citations

17 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
16 more

5 mentions without citation

Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression.
Zhou et al. (2018)
4 more