› 5o3b

X-ray diffraction
1.95Å resolution

Human Brd2(BD2) mutant in complex with AL

Released:
DOI: 10.2210/pdb5o3b/pdb
PDB entry 5o3b coloured by chain, front view.
PDB entry 5o3b coloured by chain, side view.
PDB entry 5o3b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Runcie AC, Zengerle M, Chan KH, Testa A, van Beurden L, Baud MGJ, Epemolu O, Ellis LCJ, Read KD, Coulthard V, Brien A, Ciulli A
Chem Sci 9 2452-2468 (2018)
PMID: 29732121

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-150461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 114 amino acids
Theoretical weight: 13.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P25440 (Residues: 344-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 9HZ 4 x 9HZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: I222
Unit cell:
a: 88.075Å b: 101.893Å c: 123.534Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.244
Expression system: Escherichia coli BL21

Quick links

Citations

7 review citations

Current strategies for the design of PROTAC linkers: a critical review.
Troup et al. (2020)
6 more

1 mention without citation

HIV and Alzheimer's disease: complex interactions of HIV-Tat with amyloid β peptide and Tau protein.
Hategan et al. (2019)