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Ligand · B72

B72 · {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid

B72, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid (C20 H24 O4, 328.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
B72
Formula
C20 H24 O4
Class
ligand
Structures
10
PDB entries
5

Binding sites

B72 in 10 structures; the first of them:

  • 3HZF · Structure of TR-alfa bound to selective thyromimetic GC-1 in C2 space group · B72 A1 · binds PHE215, PHE218, THR219, ILE221, ILE222, ALA225, ARG228, MET256 and 16 more
  • 3ILZ · Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group · B72 A1 · binds PHE215, PHE218, THR219, ILE221, ILE222, ALA225, MET256, MET259 and 15 more
  • 3IMY · Structure of TR-beta bound to selective thyromimetic GC-1 · B72 A462 · binds PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282, MET310 and 16 more
  • 3NEE · Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1) · B72 A1 · binds LYS15, LEU17, THR106, ALA108, LEU110, THR119
  • 3NES · V30M mutant human transthyretin (TTR) complexed with GC-1 (V30M:GC-1) · B72 A1 · binds LYS15, LEU17, GLU54, THR106, ALA108, ALA109, LEU110, SER117 and 1 more
  • 3HZF · Structure of tr-alfa bound to selective thyromimetic gc-1 in C2 space group · B72 A1 · binds PHE215, PHE218, THR219, ILE221, ILE222, ALA225, ARG228, MET256 and 16 more
  • 3ILZ · Structure of tr-alfa bound to selective thyromimetic gc-1 in P212121 space group · B72 A1 · binds PHE215, PHE218, THR219, ILE221, ILE222, ALA225, MET256, MET259 and 15 more
  • 3IMY · Structure of tr-beta bound to selective thyromimetic gc-1 · B72 A462 · binds PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282, MET310 and 16 more
  • 3NEE · Wild type human transthyretin (ttr) complexed with gc-1 (TTRWT:GC-1) · B72 A1 · binds LYS15, LEU17, THR106, ALA108, LEU110, THR119
  • 3NES · V30M mutant human transthyretin (ttr) complexed with gc-1 (V30M:GC-1) · B72 A1 · binds LYS15, LEU17, GLU54, THR106, ALA108, ALA109, LEU110, SER117 and 1 more

Residues it binds most

LEU 14, ALA 14, THR 14, MET 8, GLY 6, ILE 6, PHE 6, ARG 6, SER 8, LYS 8 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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