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Ligand · K2D

K2D · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl) sulfonyl]amino}-2-hydroxypropyl]carbamate

K2D, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl) sulfonyl]amino}-2-hydroxypropyl]carbamate (C30 H42 N2 O8 S, 590.7 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3…

Component
K2D
Formula
C30 H42 N2 O8 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

K2D in 5 structures; the first of them:

  • 3O9F · Crystal Structure of wild-type HIV-1 Protease in complex with kd27 · K2D A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7LE4 · HIV-1 Protease WT (NL4-3) in Complex with UMass7 · K2D A106 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 7MA7 · HIV-1 Protease (I84V) in Complex with UMass7 · K2D A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3O9F · Crystal structure of wild-type HIV-1 protease in complex with KD27 · K2D A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7LE4 · HIV-1 protease wt (NL4-3) in complex with UMASS7 · K2D A106 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more

Residues it binds most

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

Found with

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

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