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Ligand · CI3

CI3 · (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid

CI3, (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid (C23 H24 Cl N O4, 413.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
CI3
Formula
C23 H24 Cl N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CI3 in 2 structures; the first of them:

  • 4AWG · Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo… · CI3 A801 · binds GLU23, TYR24, LYS34, ALA37, ILE38, HIS41, GLU80, ARG84 and 7 more
  • 4AWG · Influenza strain PH1N1 2009 polymerase subunit pa endonuclease in complex with diketo… · CI3 A801 · binds GLU23, TYR24, LYS34, ALA37, ILE38, HIS41, GLU80, ARG84 and 7 more

Residues it binds most

GLU 8, ILE 8, LYS 8, TYR 8, ARG 8, ASP 8, GLY 8, LEU 8, ALA 8, HIS 8 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • SO4 · Sulfate ion

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