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Ligand · F06

F06 · 2-chlorobenzyl carbamimidothioate

F06, 2-chlorobenzyl carbamimidothioate (C8 H9 Cl N2 S, 200.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
F06
Formula
C8 H9 Cl N2 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

F06 in 3 structures; the first of them:

  • 3PLL · Endothiapepsin in complex with a fragment · F06 A2001 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 4Y3R · Endothiapepsin in complex with fragment 306 · F06 A403 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 8S46 · CdaA-E01 complex · F06 B201 · binds HIS10, ILE13, GLU14, GLU17, HIS146, LEU150

Residues it binds most

ILE 3, GLY 2, ASP 2, GLU 1, HIS 1, PHE 2, SER 2, THR 2, TYR 2, LEU 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • NA · Sodium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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