› 5u5h

X-ray diffraction
1.8Å resolution

Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine

Released:
DOI: 10.2210/pdb5u5h/pdb
PDB entry 5u5h coloured by chain, front view.
PDB entry 5u5h coloured by chain, side view.
PDB entry 5u5h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
Lingel A, Sendzik M, Huang Y, Shultz MD, Cantwell J, Dillon MP, Fu X, Fuller J, Gabriel T, Gu J, Jiang X, Li L, Liang F, McKenna M, Qi W, Rao W, Sheng X, Shu W, Sutton J, Taft B, Wang L, Zeng J, Zhang H, Zhang M, Zhao K, Lindvall M, Bussiere DE
J Med Chem 60 415-427 (2017)
PMID: 27992714

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-131010 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polycomb protein EED Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 42.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: O75530 (Residues: 76-441; Coverage: 83%)
Gene name: EED
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase

Ligands and Environments

2 bound ligands:
Ligand 7VV 1 x 7VV
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P21
Unit cell:
a: 50.57Å b: 60Å c: 66.57Å
α: 90° β: 103.86° γ: 90°
R-values:
R R work R free
0.166 0.164 0.204
Expression system: Escherichia coli K-12

Quick links

Citations

12 review citations

Inhibitors of Protein Methyltransferases and Demethylases.
Kaniskan et al. (2018)
11 more