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Ligand · ES2

ES2 · 6-chloro-1,3-dihydro-2H-indol-2-one

ES2, 6-chloro-1,3-dihydro-2H-indol-2-one (C8 H6 Cl N O, 167.6 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…

Component
ES2
Formula
C8 H6 Cl N O
Class
ligand
Structures
4
PDB entries
2

Binding sites

ES2 in 4 structures; the first of them:

  • 3KPY · Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole · ES2 A290 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, GLU219 and 2 more
  • 4K2Y · Crystal Structure of Human Chymase in Complex with Fragment Inhibitor… · ES2 A303 · binds SER189, ALA190, PHE191, LYS192, SER195, VAL213, TYR215, GLY216 and 4 more
  • 3KPY · Crystal structure of hpnmt in complex adohcy and 6-chlorooxindole · ES2 A290 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, GLU219 and 2 more
  • 4K2Y · Crystal structure of human chymase in complex with fragment inhibitor… · ES2 A303 · binds SER189, ALA190, PHE191, LYS192, SER195, VAL213, TYR215, GLY216 and 4 more

Residues it binds most

TYR 6, PHE 6, VAL 6, ARG 6, LYS 6, SER 2, ALA 2, ASN 4, ASP 4, GLU 4 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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