› 7t3f

X-ray diffraction
1.28Å resolution

Development of BRD4 inhibitors as arsenicals antidotes

Released:
DOI: 10.2210/pdb7t3f/pdb
Model geometry
Fit model/data
PDB entry 7t3f coloured by chain, front view.
PDB entry 7t3f coloured by chain, side view.
PDB entry 7t3f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Yatchang MF, Mathew B, Srivastava RK, Khan J, Muzaffar S, Zhang S, Wu M, Zhai L, Ruiz P, Agarwal A, Bostwick JR, Suto MJ, Athar M, Augelli-Szafran CE
Bioorg Med Chem Lett 64 128696 (2022)
PMID: 35318165

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: 127 amino acids
Theoretical weight: 15.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-167; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand EM0 1 x EM0
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 34.913Å b: 46.973Å c: 77.593Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.121 0.12 0.145
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

The Role of Selected Epigenetic Pathways in Cardiovascular Diseases as a Potential Therapeutic Target.
Wołowiec et al. (2023)

1 mention without citation

Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Yatchang et al. (2022)