› 6e22

X-ray diffraction
1.6Å resolution

Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity

Released:
DOI: 10.2210/pdb6e22/pdb
PDB entry 6e22 coloured by chain, front view.
PDB entry 6e22 coloured by chain, side view.
PDB entry 6e22 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Aho ER, Wang J, Gogliotti RD, Howard GC, Phan J, Acharya P, Macdonald JD, Cheng K, Lorey SL, Lu B, Wenzel S, Foshage AM, Alvarado J, Wang F, Shaw JG, Zhao B, Weissmiller AM, Thomas LR, Vakoc CR, Hall MD, Hiebert SW, Liu Q, Stauffer SR, Fesik SW, Tansey WP
Cell Rep 26 2916-2928.e13 (2019)
PMID: 30865883

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158474 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
WD repeat-containing protein 5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 313 amino acids
Theoretical weight: 34.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61964 (Residues: 22-334; Coverage: 94%)
Gene names: BIG3, WDR5
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase

Ligands and Environments

2 bound ligands:
Ligand HLS 2 x HLS
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P1
Unit cell:
a: 46.684Å b: 53.635Å c: 65.31Å
α: 108.03° β: 90.15° γ: 106.27°
R-values:
R R work R free
0.159 0.159 0.18
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Therapeutic targeting of "undruggable" MYC.
Llombart et al. (2022)
13 more

1 mention without citation

Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Aho et al. (2019)