Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase

Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1

Integrase CATALYTIC CORE DOMAIN, UNP residues 765-927

MHGQVDSSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTGATVRAA
CDWAGIKQEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDIQ
TKE

1.8M AmSO4, 0.15M Na Citrate pH 4.6, 5mM CdCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

oligosaccharide with reducing-end-to-reducing-end glycosidic bond

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

DNA INTEGRATION, AIDS, INTEGRASE, ENDONUCLEASE, POLYNUCLEOTIDYL TRANSFERASE, DNA BINDING, VIRAL PROTEIN, RNaseH, fragment binding, VIRAL PROTEIN-TRANSFERASE INHIBITOR complex

MHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAA
CWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQ
TKE