› 6xv3

X-ray diffraction
1.47Å resolution

CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3

Released:
DOI: 10.2210/pdb6xv3/pdb
PDB entry 6xv3 coloured by chain, front view.
PDB entry 6xv3 coloured by chain, side view.
PDB entry 6xv3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
PI by NMR: Probing CH-π Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Platzer G, Mayer M, Beier A, Brüschweiler S, Fuchs JE, Engelhardt H, Geist L, Bader G, Schörghuber J, Lichtenecker R, Wolkerstorfer B, Kessler D, McConnell DB, Konrat R
Angew Chem Int Ed Engl 59 14861-14868 (2020)
PMID: 32421895

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 127 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

1 bound ligand:
Ligand O2B 4 x O2B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P1
Unit cell:
a: 42.184Å b: 58.955Å c: 59.639Å
α: 105.25° β: 90.7° γ: 97.94°
R-values:
R R work R free
0.261 0.259 0.29
Expression system: Escherichia coli

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Citations

1 review citation

CH-π Interactions in Glycan Recognition.
Kiessling et al. (2021)
13 other articles