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Ligand · K20

K20 · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate

K20, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate (C29 H38 N2 O9 S, 590.7 g/mol), in the MolNFT structures on GenesisL1: bound in 5…

Component
K20
Formula
C29 H38 N2 O9 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

K20 in 5 structures; the first of them:

  • 3O9C · Crystal Structure of wild-type HIV-1 Protease in complex with kd20 · K20 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 20 more
  • 7LE2 · HIV-1 Protease WT (NL4-3) in Complex with UMass4 · K20 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 20 more
  • 7MA5 · HIV-1 Protease (I84V) in Complex with UMass4 · K20 A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 3O9C · Crystal structure of wild-type HIV-1 protease in complex with KD20 · K20 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 20 more
  • 7LE2 · HIV-1 protease wt (NL4-3) in complex with UMASS4 · K20 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

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