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Ligand · F90

F90 · 4-chlorobenzyl carbamimidothioate

F90, 4-chlorobenzyl carbamimidothioate (C8 H9 Cl N2 S, 200.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
F90
Formula
C8 H9 Cl N2 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

F90 in 8 structures; the first of them:

  • 3PLD · Endothiapepsin in complex with a fragment · F90 A2001 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 4CZH · C. crescentus MreB, single filament, ADP, MP265 inhibitor · F90 A1335 · binds LEU17, GLY18, THR19, MET74, GLY77, ILE79, CYS110, VAL111 and 6 more
  • 4CZK · C. crescentus MreB, single filament, AMPPNP, MP265 inhibitor · F90 A1337 · binds ASP16, LEU17, GLY18, THR19, MET74, GLY77, VAL78, ILE79 and 9 more
  • 4Y35 · Endothiapepsin in complex with fragment 290 · F90 A406 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 3PLD · Endothiapepsin in complex with a fragment · F90 A2001 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 4CZH · C. crescentus mreb, single filament, ADP, MP265 inhibitor · F90 A1335 · binds LEU17, GLY18, THR19, MET74, GLY77, ILE79, CYS110, VAL111 and 6 more
  • 4CZK · C. crescentus mreb, single filament, amppnp, MP265 inhibitor · F90 A1337 · binds ASP16, LEU17, GLY18, THR19, MET74, GLY77, VAL78, ILE79 and 9 more
  • 4Y35 · Endothiapepsin in complex with fragment 290 · F90 A406 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more

Residues it binds most

ILE 8, GLY 8, ASP 6, GLU 4, THR 8, VAL 4, ARG 4, CYS 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • GOL · Glycerol
  • ADP · Adenosine-5'-diphosphate
  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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