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Ligand · CN8

CN8 · (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide

CN8, (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide (C22 H32 N8 O3 S, 488.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
CN8
Formula
C22 H32 N8 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

CN8 in 4 structures; the first of them:

  • 4CP9 · Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom · CN8 A1124 · binds TYR36, PRO38, GLU49, HIS50, PRO51, GLN53
  • 4CPB · Crystal structure of leca in complex with a divalent galactoside at 1. 57 ångström in… · CN8 A1124 · binds TYR36, PRO38, HIS50, PRO51, GLN53
  • 4CP9 · Crystal structure of leca lectin complexed with a divalent galactoside at 1.65 ångström · CN8 A1124 · binds TYR36, PRO38, GLU49, HIS50, PRO51, GLN53
  • 4CPB · Crystal structure of leca in complex with a divalent galactoside at 1. 57 ångström in… · CN8 A1124 · binds TYR36, PRO38, HIS50, PRO51, GLN53

Residues it binds most

PRO 16, GLN 16, HIS 16, TYR 16, GLU 10, ASP 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GAL · beta-D-galactopyranose
  • EDO · 1,2-ethanediol
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • 2PE · Nonaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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