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Ligand · B81

B81 · (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol

B81, (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol (C19 H30 O2, 290.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
B81
Formula
C19 H30 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B81 in 2 structures; the first of them:

  • 3KLP · 17beta-HSD1 in complex with A-diol · B81 X328 · binds SER142, VAL143, LEU149, ASN152, TYR155, GLY186, PRO187, TYR218 and 7 more
  • 3KLP · 17BETA-HSD1 in complex with a-diol · B81 X328 · binds SER142, VAL143, LEU149, ASN152, TYR155, GLY186, PRO187, TYR218 and 7 more

Residues it binds most

VAL 2, SER 2, TYR 2, ASN 2, GLU 2, GLY 2, HIS 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

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