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Ligand · MS3

MS3 · N,N-[2,5-O-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]

MS3, N,N-[2,5-O-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine] (C42 H52 N6 O8, 768.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
MS3
Formula
C42 H52 N6 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

MS3 in 2 structures; the first of them:

  • 1EC3 · HIV-1 protease in complex with the inhibitor MSA367 · MS3 A501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1EC3 · HIV-1 protease in complex with the inhibitor MSA367 · MS3 A501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

GLY 2, ILE 2, ASP 2, VAL 2, ALA 2, ARG 2, LEU 2, PRO 2, PHE 2, THR 2 (residue and the binding sites it lines).

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