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Ligand · EDK

EDK · (2~{S})-3-[4-[2-[methyl(pyridin-2-yl) amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl) phenyl]amino]propanoic acid

EDK, (2~{S})-3-[4-[2-[methyl(pyridin-2-yl) amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl) phenyl]amino]propanoic acid (C30 H29 N3 O4, 495.6 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (12 PDB entries). Every binding…

Component
EDK
Formula
C30 H29 N3 O4
Class
ligand
Structures
16
PDB entries
12

Binding sites

EDK in 16 structures; the first of them:

  • 6D8X · PPAR gamma LBD complexed with the agonist GW1929 · EDK A501 · binds ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323, ILE326 and 11 more
  • 6FZJ · PPAR gamma mutant complex · EDK A550 · binds PHE292, ILE309, PHE310, GLY312, CYS313, GLN314, ARG316, SER317 and 15 more
  • 6T1S · PPAR mutant · EDK A601 · binds ILE309, SER310, GLY312, CYS313, GLN314, SER317, HIS351, TYR355 and 11 more
  • 7JQG · Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with… · EDK A501 · binds ILE281, GLY284, CYS285, PHE287, ARG288, SER289, ILE326, LEU330 and 7 more
  • 9CWN · NRIP1_133 / RIP140 SxxLxxLL motif coregulator peptide with agonist GW1929 and PPARg LBD · EDK A601 · binds ILE309, PHE310, GLY312, CYS313, GLN314, ARG316, SER317, HIS351 and 16 more
  • 6D8X · Ppar gamma lbd complexed with the agonist GW1929 · EDK A501 · binds ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323, ILE326 and 11 more
  • 6D94 · Crystal structure of ppar gamma in complex with mediator of RNA polymerase II… · EDK A501 · binds ILE262, ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323 and 13 more
  • 6FZF · Ppar mutant complex · EDK A4000 · binds ILE290, ILE309, PHE310, GLY312, CYS313, GLN314, ARG316, SER317 and 13 more
  • 6FZG · Ppar gamma mutant complex · EDK A550 · binds PHE292, ILE309, PHE310, GLY312, CYS313, GLN314, SER317, HIS351 and 13 more
  • 6FZJ · Ppar gamma mutant complex · EDK A550 · binds PHE292, ILE309, PHE310, GLY312, CYS313, GLN314, SER317, HIS351 and 12 more
  • 6FZP · Ppar gamma complex. · EDK A550 · binds ILE309, PHE310, GLY312, CYS313, GLN314, SER317, HIS351, LEU358 and 10 more
  • 6T1S · PPAR MUTANT · EDK A601 · binds ILE309, SER310, GLY312, CYS313, GLN314, SER317, HIS351, TYR355 and 11 more
  • 6T1V · Pparg mutant · EDK A4000 · binds ILE309, PHE310, GLY312, CYS313, GLN314, SER317, HIS351, ILE354 and 9 more
  • 6VZL · Crystal structure of human ppargamma ligand binding domain in complex with GW1929 · EDK A501 · binds PHE282, GLY284, CYS285, GLN286, ARG288, SER289, HIS323, ILE326 and 13 more
  • 7JQG · Crystal structure of human ppargamma ligand binding domain Y473E mutant in complex with… · EDK A501 · binds GLY284, CYS285, PHE287, ARG288, SER289, LEU330, LEU340, ILE341 and 2 more
  • 7RLE · Crystal structure of ppar gamma in complex with creb-binding protein and agonist GW1929 · EDK A501 · binds ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323, ILE326 and 12 more

Residues it binds most

LEU 23, PHE 23, ILE 23, HIS 18, MET 20, TYR 18, SER 23, CYS 23, GLY 23, GLN 18 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • NA · Sodium ion
  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • FLC · Citrate anion
  • GOL · Glycerol

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