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Ligand · G85

G85 · N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

G85, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide (C35 H48 N4 O8, 652.8 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB…

Component
G85
Formula
C35 H48 N4 O8
Class
ligand
Structures
10
PDB entries
5

Binding sites

G85 in 10 structures; the first of them:

  • 2YNB · Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael… · G85 B501 · binds SER1, MET25, THR26, LEU27, HIS41, LEU49, PRO52, TYR54 and 21 more
  • 3TNT · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G85 A501 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 15 more
  • 3ZVF · 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85 · G85 A1189 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZB · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G85 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, GLU71, LEU125 and 16 more
  • 3ZZD · Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed… · G85 A1181 · binds TYR22, PHE25, ARG39, HIS40, GLU71, TYR122, LEU125, TYR126 and 15 more
  • 2YNB · Crystal structure of the main protease of coronavirus HKU4 in complex with a michael… · G85 B501 · binds SER1, MET25, THR26, LEU27, HIS41, LEU49, PRO52, TYR54 and 21 more
  • 3TNT · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G85 A501 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 15 more
  • 3ZVF · 3C protease of enterovirus 68 complexed with michael receptor inhibitor 85 · G85 A1189 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, LEU125, ASN126 and 13 more
  • 3ZZB · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G85 A1181 · binds TYR22, GLY23, GLU24, PHE25, ARG39, HIS40, GLU71, LEU125 and 16 more
  • 3ZZD · Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed… · G85 A1181 · binds TYR22, PHE25, ARG39, HIS40, GLU71, TYR122, LEU125, TYR126 and 15 more

Residues it binds most

GLY 10, HIS 10, LEU 10, PHE 10, GLN 8, THR 10, CYS 10, ARG 8, ASN 8, GLU 10 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion

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