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Ligand · C3U

C3U · 1-chloranyl-2-methyl-benzene

C3U, 1-chloranyl-2-methyl-benzene (C7 H7 Cl, 126.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
C3U
Formula
C7 H7 Cl
Class
ligand
Structures
2
PDB entries
1

Binding sites

C3U in 2 structures; the first of them:

  • 7V44 · Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus… · C3U A502 · binds ILE89, PRO114, PHE198, PHE199, ALA275, ALA279, VAL326, PHE329 and 2 more
  • 7V44 · Crystal structure of class I P450 monooxygenase (P450TOL) from rhodococcus coprophilus… · C3U A502 · binds PRO114, PHE198, ALA275, ALA279, PHE329, PHE426, VAL427

Residues it binds most

PHE 2, ALA 2, VAL 2, PRO 2, ILE 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • PO4 · Phosphate ion
  • GOL · Glycerol

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