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Ligand · CGE

CGE · Clopidogrel

CGE, Clopidogrel (C16 H16 Cl N O2 S, 321.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
CGE
Formula
C16 H16 Cl N O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

CGE in 4 structures; the first of them:

  • 3ME6 · Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel · CGE A501 · binds VAL104, PHE108, ILE114, PHE115, PHE206, ILE209, SER294, PHE297 and 6 more
  • 4H1N · Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel · CGE A505 · binds ILE101, VAL104, PHE108, ILE114, PHE115, PHE202, PHE206, ILE209 and 8 more
  • 3ME6 · Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel · CGE A501 · binds VAL104, PHE108, ILE114, PHE115, PHE206, ILE209, SER294, PHE297 and 6 more
  • 4H1N · Crystal structure of P450 2B4 F297A mutant in complex with anti- platelet drug clopidogrel · CGE A505 · binds ILE101, VAL104, PHE108, ILE114, PHE115, PHE202, PHE206, ILE209 and 8 more

Residues it binds most

PHE 10, ILE 10, VAL 10, ALA 10, GLY 10, THR 10, SER 8, LEU 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside
  • SO4 · Sulfate ion

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