2OPY

Smac mimic bound to BIR3-XIAP

2OPY の概要

• エントリーDOI: 10.2210/pdb2opy/pdb
• 関連するPDBエントリー: 1G3F 1G73 2I3H 2OPZ
• 分子名称: 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)
• 機能のキーワード: peptide mimic, bir3, apoptosis activator
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P98170
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 12777.61

構造登録者

Wist, A.D.,Lu, G.,Riedl, S.J.,Shi, Y.,McLendon, G.L. (登録日: 2007-01-30, 公開日: 2007-02-20, 最終更新日: 2023-12-27)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.8 Å)