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Ligand · YA2

YA2 · (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

YA2, (1R,3R,7E,17beta)-17-[(2R,3R)-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
YA2
Formula
C32 H54 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YA2 in 2 structures; the first of them:

  • 3WT7 · Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-d… · YA2 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 20 more
  • 3WT7 · Crystal structure of vdr-lbd complexed with 22R-butyl-2-methylidene… · YA2 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 20 more

Residues it binds most

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

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