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Ligand · PP7

PP7 · Methyl cyclo[(2s)-2-[[(1R)-1-(N-(L-N-(3-methylbutanoyl)valyl-L-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate

PP7, Methyl cyclo[(2s)-2-[[(1R)-1-(N-(L-N-(3-methylbutanoyl)valyl-L-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate (C30 H47 N4 O9 P, 638.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
PP7
Formula
C30 H47 N4 O9 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

PP7 in 2 structures; the first of them:

  • 1BXO · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate inhibitor… · PP7 A324 · binds GLU15, GLU16, ASN31, ASP33, GLY35, SER36, SER74, TYR75 and 19 more
  • 1BXO · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate inhibitor… · PP7 A324 · binds GLU15, GLU16, ASN31, ASP33, GLY35, SER36, SER74, TYR75 and 19 more

Residues it binds most

LEU 2, ASP 2, GLY 2, ILE 2, PHE 2, SER 2, GLU 2, THR 2, TYR 2, ASN 2 (residue and the binding sites it lines).

Found with

  • MAN · alpha-D-mannopyranose
  • SO4 · Sulfate ion
  • GOL · Glycerol

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