2OPY

Smac mimic bound to BIR3-XIAP

Summary for 2OPY

• Entry DOI: 10.2210/pdb2opy/pdb
• Related: 1G3F 1G73 2I3H 2OPZ
• Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION, 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN, ... (4 entities in total)
• Functional Keywords: peptide mimic, bir3, apoptosis activator
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P98170
• Total number of polymer chains: 1
• Total formula weight: 12777.61

Authors

Wist, A.D.,Lu, G.,Riedl, S.J.,Shi, Y.,McLendon, G.L. (deposition date: 2007-01-30, release date: 2007-02-20, Last modification date: 2023-12-27)

Primary citation

Wist, A.D.,Gu, L.,Riedl, S.J.,Shi, Y.,McLendon, G.L.
Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP.
Bioorg.Med.Chem., 15:2935-2943, 2007

PubMed Abstract: A small series of peptide mimics was designed and synthesized to contain a heterocyclic ring in place of the potentially labile N-terminal peptide bond of the tetrapeptide containing the Smac-XIAP-binding motif. Two Smac mimics were shown to bind to the BIR3 domain of XIAP with moderate affinity and one displayed increased activity in cells relative to the Smac peptides. The structures of BIR3-XIAP in complex with a Smac peptide and a peptide mimic were solved and analyzed to elucidate the structure-activity relationship surrounding the Smac-binding domain within BIR3-XIAP.

PubMed: 17336535
DOI: 10.1016/j.bmc.2007.02.010

Experimental method

X-RAY DIFFRACTION (2.8 Å)