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Ligand · K19

K19 · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate

K19, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate (C29 H37 N3 O7 S2, 603.8 g/mol), in the MolNFT structures on GenesisL1: bound in 5…

Component
K19
Formula
C29 H37 N3 O7 S2
Class
ligand
Structures
5
PDB entries
3

Binding sites

K19 in 5 structures; the first of them:

  • 3O9D · Crystal Structure of wild-type HIV-1 Protease in complex with kd19 · K19 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 20 more
  • 7LE3 · HIV-1 Protease WT (NL4-3) in Complex with UMass5 · K19 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 20 more
  • 7MA6 · HIV-1 Protease (I84V) in Complex with UMass5 · K19 A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 3O9D · Crystal structure of wild-type HIV-1 protease in complex with KD19 · K19 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 20 more
  • 7LE3 · HIV-1 protease wt (NL4-3) in complex with UMASS5 · K19 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 20 more

Residues it binds most

ASP 5, GLY 5, ILE 5, VAL 5, ALA 5, LEU 5, PRO 5, ARG 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PO4 · Phosphate ion
  • ACT · Acetate ion

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