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Ligand · I57

I57 · 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl) amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid

I57, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl) amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid (C21 H26 N4 O7, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
I57
Formula
C21 H26 N4 O7
Class
ligand
Structures
1
PDB entries
1

Binding sites

I57 in 1 structure; the first of them:

  • 5KV9 · Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex · I57 B605 · binds ARG192, THR193, ASN208, ILE210, CYS214, GLN215, ASP216, LYS254 and 9 more
  • 5KV9 · Crystal structure of a hpiv haemagglutinin-neuraminidase-inhibitor complex · I57 B605 · binds ARG192, THR193, ASN208, ILE210, CYS214, GLN215, ASP216, LYS254 and 8 more

Residues it binds most

ARG 2, TYR 2, GLU 2, ASN 2, ASP 2, CYS 2, GLN 2, ILE 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol

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