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Ligand · SUE

SUE · (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide

SUE, (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di…

Component
SUE
Formula
C38 H50 N6 O9 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

SUE in 2 structures; the first of them:

  • 6C2M · Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172 · SUE A1202 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1056, HIS1057, GLY1058, VAL1078 and 14 more
  • 6P6Q · HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir · SUE A1301 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1081 and 12 more

Residues it binds most

SER 6, VAL 6, ALA 6, GLY 6, PHE 6, ARG 6, HIS 6, ASP 6, GLN 6, LEU 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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