1RD9

Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2

1RD9 の概要

• エントリーDOI: 10.2210/pdb1rd9/pdb
• 関連するPDBエントリー: 1RCV 1RDP 1RF2
• 分子名称: cholera toxin B protein (CTB), 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (5 entities in total)
• 機能のキーワード: bivalent, cholera, toxin, pentamer, complex
• 由来する生物種: Vibrio cholerae
• 細胞内の位置: Secreted: P01556
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 64511.97

構造登録者

Pickens, J.C.,Mitchell, D.D.,Liu, J.,Tan, X.,Zhang, Z.,Verlinde, C.L.,Hol, W.G.,Fan, E. (登録日: 2003-11-05, 公開日: 2004-10-26, 最終更新日: 2024-10-09)

主引用文献

Pickens, J.C.,Mitchell, D.D.,Liu, J.,Tan, X.,Zhang, Z.,Verlinde, C.L.,Hol, W.G.,Fan, E.
Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11:1205-1215, 2004

PubMed Abstract: A series of bivalent ligands of varying length were synthesized to inhibit the receptor-binding process of cholera toxin. Competitive surface receptor binding assays showed that significant potency gains relative to the constituent monovalent ligands were achieved independently from the ability of the extended bivalent ligands to span binding sites within the toxin pentamer. Several models that could account for the unexpected improvement in IC(50) values are examined, taking into account crystallographic analysis of each ligand in complex with the toxin pentamer. Evidence is presented that steric blocking at the receptor binding surface may play a role. The results of our study suggest that the use of relatively short, "nonspanning" bivalent ligands, or monovalent ligands of similar topology and bulk may be an effective way of blocking the interaction of multimeric proteins with their cell surface receptors.

PubMed: 15380181
DOI: 10.1016/j.chembiol.2004.06.008

実験手法

X-RAY DIFFRACTION (1.44 Å)