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Ligand · K14

K14 · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate

K14, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate (C29 H40 N2 O8 S, 576.7 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records…

Component
K14
Formula
C29 H40 N2 O8 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

K14 in 5 structures; the first of them:

  • 3O9A · Crystal Structure of wild-type HIV-1 Protease in complex with kd14 · K14 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 7LE1 · HIV-1 Protease WT (NL4-3) in Complex with UMass2 · K14 A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 20 more
  • 7MA3 · HIV-1 Protease (I84V) in Complex with UMass2 · K14 A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 3O9A · Crystal structure of wild-type HIV-1 protease in complex with KD14 · K14 A200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 7LE1 · HIV-1 protease wt (NL4-3) in complex with UMASS2 · K14 A103 · 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

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