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Ligand · YA1

YA1 · (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

YA1, (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol (C31 H52 O3, 472.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
YA1
Formula
C31 H52 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

YA1 in 4 structures; the first of them:

  • 3WT5 · A mixed population of antagonist and agonist binding conformers in a single crystal… · YA1 A501 · binds TYR143, TYR147, PHE150, LEU226, LEU229, VAL230, SER233, ILE264 and 15 more
  • 3WT6 · A mixed population of antagonist and agonist binding conformers in a single crystal… · YA1 A501 · binds TYR143, TYR147, PHE150, LEU226, LEU229, VAL230, SER233, ILE264 and 16 more
  • 3WT5 · A mixed population of antagonist and agonist binding conformers in a single crystal… · YA1 A501 · binds TYR143, TYR147, PHE150, LEU226, LEU229, VAL230, SER233, ILE264 and 15 more
  • 3WT6 · A mixed population of antagonist and agonist binding conformers in a single crystal… · YA1 A501 · binds TYR143, TYR147, PHE150, LEU226, LEU229, VAL230, SER233, ILE264 and 16 more

Residues it binds most

LEU 4, ILE 4, SER 4, TYR 4, HIS 4, PHE 4, VAL 4, ARG 4, CYS 4, MET 4 (residue and the binding sites it lines).

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