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Ligand · SU3

SU3 · (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide

SU3, (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine…

Component
SU3
Formula
C38 H55 N5 O9 S
Class
ligand
Structures
10
PDB entries
5

Binding sites

SU3 in 10 structures; the first of them:

  • 3SU3 · Crystal structure of NS3/4A protease in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 3SU4 · Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 19 more
  • 3SU5 · Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 3SU6 · Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 5ESB · Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with… · SU3 A1204 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 14 more
  • 3SU3 · Crystal structure of NS3/4A protease in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 3SU4 · Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 19 more
  • 3SU5 · Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 3SU6 · Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir · SU3 A1 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 16 more
  • 5ESB · Crystal structure of a genotype 1A/3A chimeric HCV NS3/4A protease in complex with… · SU3 A1204 · binds GLN1041, THR1042, PHE1043, VAL1055, HIS1057, GLY1058, VAL1078, ASP1079 and 14 more

Residues it binds most

VAL 12, ASP 12, ALA 12, LYS 12, GLY 12, PHE 12, SER 12, ARG 12, GLN 12, LEU 12 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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