› 5enb

X-ray diffraction
1.73Å resolution

Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)

Released:
DOI: 10.2210/pdb5enb/pdb
PDB entry 5enb coloured by chain, front view.
PDB entry 5enb coloured by chain, side view.
PDB entry 5enb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Cox OB, Krojer T, Collins P, Monteiro O, Talon R, Bradley A, Fedorov O, Amin J, Marsden BD, Spencer J, von Delft F, Brennan PE
Chem Sci 7 2322-2330 (2016)
PMID: 29910922

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-186760 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
PH-interacting protein Chain: A
Molecule details ›
Chain: A
Length: 131 amino acids
Theoretical weight: 15.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8WWQ0 (Residues: 1315-1440; Coverage: 7%)
Gene names: DCAF14, PHIP, WDR11
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 5Q5 1 x 5Q5
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21212
Unit cell:
a: 60.3Å b: 92.17Å c: 24.25Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.212 0.236
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
10 more

1 mention without citation

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo.
Aldeghi et al. (2018)