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Ligand · 4I4

4I4 · (5R,6R,8S)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

4I4, (5R,6R,8S)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide (C20 H27 N6 O3 +1, 399.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
4I4
Formula
C20 H27 N6 O3 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

4I4 in 2 structures; the first of them:

  • 4BCB · PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted… · 4I4 A791 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR473, PHE476, ILE478 and 10 more
  • 4BCB · Prolyl oligopeptidase from porcine brain with a covalently bound P2-substituted… · 4I4 A791 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR473, PHE476, ILE478 and 10 more

Residues it binds most

ARG 2, ILE 2, PHE 2, TYR 2, VAL 2, ALA 2, ASN 2, CYS 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • TAM · Tris(hydroxyethyl)aminomethane
  • GOL · Glycerol

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