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Ligand · AD4

AD4 · (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3, 3A-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3, 3A,4,5,6,6A,7,8,9B-decahydroazuleno[4,5-B] furan-4-yl 12-[(tert-butoxycarbonyl)amino] dodecanoate

AD4, (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3, 3A-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3, 3A,4,5,6,6A,7,8,9B-decahydroazuleno[4,5-B] furan-4-yl 12-[(tert-butoxycarbonyl)amino] dodecanoate…

Component
AD4
Formula
C47 H75 N O14
Class
ligand
Structures
2
PDB entries
1

Binding sites

AD4 in 2 structures; the first of them:

  • 2BY4 · SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT. · AD4 A1995 · binds ASP59, LEU61, VAL62, LEU65, ILE97, LEU98, ASN101, LYS252 and 25 more
  • 2BY4 · Sr CA(2+)-ATPase in the HNE2 state complexed with the thapsigargin derivative boc-12ADT. · AD4 A1995 · binds ASP59, LEU61, VAL62, LEU65, ILE97, LEU98, ASN101, LYS252 and 25 more

Residues it binds most

LEU 2, ILE 2, VAL 2, PHE 2, PRO 2, ASN 2, GLU 2, ALA 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • MG · Magnesium ion
  • NA · Sodium ion

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