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Ligand · EWS

EWS · (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium

EWS, (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium (C21 H22 Br Cl N3 O +1, 447.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
EWS
Formula
C21 H22 Br Cl N3 O +1
Class
ligand
Structures
3
PDB entries
2

Binding sites

EWS in 3 structures; the first of them:

  • 6CCX · NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc · EWS B237 · binds LYS5, LEU6, VAL7, ASP54, LEU56, GLN70, TYR71, THR74 and 1 more
  • 6CC9 · NMR data-driven model of GTPase KRAS-GMPPNP:CMPD2 complex tethered to a nanodisc · EWS B239 · binds LYS5, LEU6, VAL7, VAL8, ASP54, ILE55, LEU56, THR58 and 3 more
  • 6CCX · NMR data-driven model of GTPase KRAS-GMPPNP:CMPD2 complex tethered to a nanodisc · EWS B237 · binds LYS5, LEU6, VAL7, ASP54, LEU56, GLN70, TYR71, THR74 and 1 more

Residues it binds most

LEU 3, THR 3, VAL 3, ASP 3, LYS 3, TYR 3, GLN 2, GLY 2, ILE 1, MET 1 (residue and the binding sites it lines).

Found with

  • 17F · O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine
  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine
  • MG · Magnesium ion

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