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Ligand · G3G

G3G · N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)

G3G, N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide) (C30 H33 N5 O4 S2, 591.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å…

Component
G3G
Formula
C30 H33 N5 O4 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

G3G in 8 structures; the first of them:

  • 2PWC · HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor · G3G A501 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more
  • 2R3W · I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor · G3G A2501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2R43 · I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor · G3G B2501 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more
  • 4YDG · Crystal structure of compound 10 in complex with HTLV-1 Protease · G3G B201 · binds LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39, LEU91 and 15 more
  • 2PWC · HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor · G3G A501 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more
  • 2R3W · I84V HIV-1 protease in complex with a amino decorated pyrrolidine- based inhibitor · G3G A2501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2R43 · I50V HIV-1 protease in complex with an amino decorated pyrrolidine- based inhibitor · G3G B2501 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more
  • 4YDG · Crystal structure of compound 10 in complex with HTLV-1 protease · G3G B201 · binds LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39, LEU91 and 15 more

Residues it binds most

ASP 8, GLY 8, VAL 8, ILE 8, LEU 8, ALA 8, ARG 8, PRO 6, MET 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • SO4 · Sulfate ion

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