› 9fxp

X-ray diffraction
1.88Å resolution

Crystal structure of BRD4 BD1 with DI00626383.

Released:
DOI: 10.2210/pdb9fxp/pdb
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PDB entry 9fxp coloured by chain, front view.
PDB entry 9fxp coloured by chain, side view.
PDB entry 9fxp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Probing Protein-Ligand Methyl-π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
Beier A, Platzer G, Höfurthner T, Ptaszek AL, Lichtenecker RJ, Geist L, Fuchs JE, McConnell DB, Mayer M, Konrat R
J Med Chem (2024)
PMID: 39069741

Function and Biology Details

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

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: 15.1 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 5WX 1 x 5WX
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 36.99Å b: 43.98Å c: 78.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.218
Expression system: Escherichia coli

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