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Ligand · PP6

PP6 · Methyl[cyclo-7[(2R)-((N-valyl)amino)-2-(hydroxyl-(1S)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide]

PP6, Methyl[cyclo-7[(2R)-((N-valyl)amino)-2-(hydroxyl-(1S)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide] (C29 H32 N2 O7 P -1, 551.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
PP6
Formula
C29 H32 N2 O7 P -1
Class
ligand
Structures
4
PDB entries
2

Binding sites

PP6 in 4 structures; the first of them:

  • 2WEA · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate inhibitor… · PP6 A326 · binds GLU15, ASP33, GLY35, SER36, TYR75, ASP77, SER79, GLN111 and 12 more
  • 2WED · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate macrocyclic… · PP6 A327 · binds ASP33, GLY35, SER36, SER74, TYR75, GLY76, ASP77, SER79 and 10 more
  • 2WEA · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate inhibitor… · PP6 A326 · binds GLU15, ASP33, GLY35, SER36, TYR75, ASP77, SER79, GLN111 and 12 more
  • 2WED · Acid proteinase (penicillopepsin) (E.C.3.4.23.20) complex with phosphonate macrocyclic… · PP6 A327 · binds ASP33, GLY35, SER36, SER74, TYR75, GLY76, ASP77, SER79 and 10 more

Residues it binds most

ASP 4, GLY 4, ILE 4, PHE 4, SER 4, LEU 4, THR 4, TYR 4, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

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

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