› 8gpz

X-ray diffraction
1.53Å resolution

Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012

Released:
DOI: 10.2210/pdb8gpz/pdb
PDB entry 8gpz coloured by chain, front view.
PDB entry 8gpz coloured by chain, side view.
PDB entry 8gpz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Kim JH, Pandit N, Yoo M, Park TH, Choi JU, Park CH, Jung KY, Lee BI
OpenAccess logo Sci Rep 13 10805 (2023)
PMID: 37402749

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: 124 amino acids
Theoretical weight: 14.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 44-166; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand FMT 2 x FMT
Ligand NA 1 x NA
Ligand KC3 1 x KC3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 11C
Spacegroup: P212121
Unit cell:
a: 32.158Å b: 47.318Å c: 79.54Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.186 0.212
Expression system: Escherichia coli

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