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Ligand · G81

G81 · Ethyl (4R)-4-{[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

G81, Ethyl (4R)-4-{[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (C25 H37 N3 O6, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
G81
Formula
C25 H37 N3 O6
Class
ligand
Structures
6
PDB entries
3

Binding sites

G81 in 6 structures; the first of them:

  • 3TIT · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G81 A307 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more
  • 3ZVB · 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81 · G81 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, ASN126, LEU127 and 11 more
  • 3ZZ7 · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G81 A1181 · binds GLU24, PHE25, ARG39, HIS40, GLU71, LEU127, GLY128, THR130 and 10 more
  • 3TIT · Crystal structure of SARS coronavirus main protease complexed with an alpha… · G81 A307 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more
  • 3ZVB · 3C protease of enterovirus 68 complexed with michael receptor inhibitor 81 · G81 A1190 · binds LYS22, PHE25, PRO38, HIS40, ALA41, GLU71, ASN126, LEU127 and 11 more
  • 3ZZ7 · Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha… · G81 A1181 · binds GLU24, PHE25, ARG39, HIS40, GLU71, LEU127, GLY128, THR130 and 10 more

Residues it binds most

GLY 6, HIS 6, ARG 6, ASN 6, GLU 6, ALA 4, CYS 6, LEU 6, PHE 6, THR 4 (residue and the binding sites it lines).

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