GL1X · GenesisL1 explorer

Ligand · JKT

JKT · tert-butyl N-[[1-[(3S,5S)-5-[(2S)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate

JKT, tert-butyl N-[[1-[(3S,5S)-5-[(2S)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate (C28 H41 N7 O5, 555.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
JKT
Formula
C28 H41 N7 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

JKT in 2 structures; the first of them:

  • 4BCC · PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted… · JKT A791 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR471, TYR473, PHE476 and 12 more
  • 4BCC · Prolyl oligopeptidase from porcine brain with a covalently bound P2-substituted… · JKT A791 · binds PHE173, MET235, ARG252, GLY254, CYS255, TYR471, TYR473, PHE476 and 12 more

Residues it binds most

ILE 2, TYR 2, ARG 2, PHE 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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