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Ligand · PSI

PSI · methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate

PSI, methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate (C29 H47 N5 O7, 577.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
PSI
Formula
C29 H47 N5 O7
Class
ligand
Structures
6
PDB entries
3

Binding sites

PSI in 6 structures; the first of them:

  • 1AAQ · Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease… · PSI B100 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 1HEG · The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors… · PSI E201 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 3 more
  • 1SIV · Three-dimensional structure of a SIV PROTEASE(SLASH)INHIBITOR complex. implications for… · PSI B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 20 more
  • 1AAQ · Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease… · PSI B100 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 1HEG · The crystal structures at 2.2 ångströms resolution of hydroxyethylene- based inhibitors… · PSI E201 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 3 more
  • 1SIV · Three-dimensional structure of a SIV PROTEASE(SLASH)INHIBITOR complex. implications for… · PSI B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 20 more

Residues it binds most

ILE 6, ASP 6, GLY 6, VAL 6, ALA 6, ARG 6, LEU 4, PRO 4 (residue and the binding sites it lines).

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