PDBsum entry 2rki

Transferase

PDB id: 2rki

Contents

Protein chains

557 a.a.

402 a.a.

Ligands

TT1

GOL

SO4 ×5

Metals

_MG

_CL ×5

Waters ×297

References listed in PDB file

Key reference

• Title: Triazole derivatives as non-Nucleoside inhibitors of HIV-1 reverse transcriptase--Structure-Activity relationships and crystallographic analysis.
• Authors: T.A.Kirschberg, M.Balakrishnan, W.Huang, R.Hluhanich, N.Kutty, A.C.Liclican, D.J.Mccoll, N.H.Squires, E.B.Lansdon.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 1131-1134.
• PubMed id: 18083512

Abstract

A series of 3,4,5-trisubstituted 1,2,4-4H triazole derivatives was synthesized and investigated for HIV-1 reverse transcriptase inhibition. An X-ray structure with HIV-1 RT secured the binding mode and allowed the key interactions with the enzyme to be identified.