Ligand · 5YI
5YI · (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
5YI, (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol (C28 H44 O4 S, 476.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- 5YI
- Formula
- C28 H44 O4 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
5YI in 4 structures; the first of them:
- 3VT4 · Crystal structures of rat VDR-LBD with R270L mutation · 5YI A500 · binds TYR143, ASP144, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229 and 18 more
- 3VT6 · Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26… · 5YI A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 18 more
- 3VT4 · Crystal structures of rat vdr-lbd with R270L mutation · 5YI A500 · binds TYR143, ASP144, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229 and 18 more
- 3VT6 · Crystal structure of rat vdr-lbd with 2-substituted-16-ene-22-thia… · 5YI A500 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 18 more
Residues it binds most
LEU 4, TYR 4, SER 4, VAL 4, ALA 4, HIS 4, ILE 4, PHE 4, CYS 4, MET 4 (residue and the binding sites it lines).
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