› 5u8f

X-ray diffraction
1.34Å resolution

Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

Released:
DOI: 10.2210/pdb5u8f/pdb
PDB entry 5u8f coloured by chain, front view.
PDB entry 5u8f coloured by chain, side view.
PDB entry 5u8f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR
Bioorg Med Chem Lett 27 1576-1583 (2017)
PMID: 28254486

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: 369 amino acids
Theoretical weight: 42.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O75530 (Residues: 77-441; Coverage: 83%)
Gene name: EED
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase

Ligands and Environments

1 bound ligand:
Ligand 82G 1 x 82G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 57.645Å b: 85.108Å c: 91.514Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.154 0.153 0.176
Expression system: Escherichia coli

Quick links

Citations

8 review citations

WD40 repeat domain proteins: a novel target class?
Schapira et al. (2017)
7 more