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Ligand · TK3

TK3 · (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

TK3, (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol (C36 H52 O3, 532.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
TK3
Formula
C36 H52 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

TK3 in 2 structures; the first of them:

  • 3VTC · Crystal structure of rat vitamin D receptor bound to a partial agonist… · TK3 A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 21 more
  • 3VTC · Crystal structure of rat vitamin D receptor bound to a partial agonist… · TK3 A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 21 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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