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Ligand · YS5

YS5 · (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

YS5, (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol (C32 H54 O3, 486.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
YS5
Formula
C32 H54 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YS5 in 2 structures; the first of them:

  • 3VRW · VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-din… · YS5 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 19 more
  • 3VRW · Vdr ligand binding domain in complex with 22S-butyl-2-methylidene-26… · YS5 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 19 more

Residues it binds most

LEU 2, TYR 2, SER 2, ALA 2, HIS 2, ILE 2, PHE 2, VAL 2, ARG 2, CYS 2 (residue and the binding sites it lines).

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