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Ligand · DJR

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

DJR, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl) sulfonyl]amino}propyl]carbamate (C28 H38 N2 O8 S, 562.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
DJR
Formula
C28 H38 N2 O8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

DJR in 4 structures; the first of them:

  • 7LDY · HIV-1 Protease WT (NL4-3) in Complex with TMC-126 · DJR A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
  • 7M9Z · HIV-1 Protease (I84V) in Complex with TMC-126 · DJR A106 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
  • 7LDY · HIV-1 protease wt (NL4-3) in complex with tmc-126 · DJR A104 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 17 more
  • 7M9Z · HIV-1 protease (I84V) in complex with tmc-126 · DJR A106 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 16 more

Residues it binds most

ASP 4, GLY 4, VAL 4, ILE 4, ALA 4, LEU 4, ARG 4, PRO 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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