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Ligand · 3AJ

3AJ · 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile

3AJ, 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile (C32 H49 N O4, 511.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3AJ
Formula
C32 H49 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3AJ in 2 structures; the first of them:

  • 3WWR · Crystal structure of the human vitamin D receptor ligand binding domain complexed with… · 3AJ A501 · binds THR142, TYR143, ASP144, TYR147, PHE150, LEU227, LEU230, LEU233 and 23 more
  • 3WWR · Crystal structure of the human vitamin D receptor ligand binding domain complexed with… · 3AJ A501 · binds THR142, TYR143, ASP144, TYR147, PHE150, LEU227, LEU230, LEU233 and 23 more

Residues it binds most

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

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