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Ligand · E4R

E4R · (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol

E4R, (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol (C23 H34 O4, 374.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
E4R
Formula
C23 H34 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

E4R in 2 structures; the first of them:

  • 7DDK · Crystal structures of Na+,K+-ATPase in complex with rostafuroxin · E4R A1121 · binds GLN111, GLN119, ASP121, ASN122, LEU125, PHE316, GLY319, VAL322 and 6 more
  • 7DDK · Crystal structures of NA+,K+-ATPase in complex with rostafuroxin · E4R A1121 · binds GLN111, GLN119, ASP121, ASN122, LEU125, GLY319, ALA323, PHE783 and 3 more

Residues it binds most

PHE 4, GLN 4, LEU 4, ALA 4, GLY 4, ILE 3, THR 4, ASN 3, ASP 3, VAL 3 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine
  • MG · Magnesium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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