3LDJ

Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding

3LDJ の概要

• エントリーDOI: 10.2210/pdb3ldj/pdb
• 関連するPDBエントリー: 3LDM
• 関連するBIRD辞書のPRD_ID: PRD_900013
• 分子名称: Pancreatic trypsin inhibitor, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACETATE ION, ... (4 entities in total)
• 機能のキーワード: aprotinin, sucrose octasulfate, disulfide bond, protease inhibitor, secreted, serine protease inhibitor, hydrolase inhibitor
• 由来する生物種: Bos taurus (bovine,cow,domestic cattle,domestic cow)
• 細胞内の位置: Secreted: P00974
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 20624.55

構造登録者

Yang, I.S.,Kim, T.G.,Park, B.S.,Kim, K.H. (登録日: 2010-01-13, 公開日: 2010-09-15, 最終更新日: 2025-05-07)

主引用文献

Yang, I.S.,Kim, T.G.,Park, B.S.,Cho, K.J.,Lee, J.H.,Park, Y.,Kim, K.H.
Crystal structures of aprotinin and its complex with sucrose octasulfate reveal multiple modes of interactions with implications for heparin binding.
Biochem.Biophys.Res.Commun., 2010

PubMed Abstract: The crystal structures of aprotinin and its complex with sucrose octasulfate (SOS), a polysulfated heparin analog, were determined at 1.7-2.6A resolutions. Aprotinin is monomeric in solution, which associates into a decamer at high salt concentrations. Sulfate ions serve to neutralize the basic amino acid residues of aprotinin to stabilize the decameric aprotinin. Whereas SOS interacts with heparin binding proteins at 1:1 molar ratio, SOS was surprisingly found to induce strong agglutination of aprotinins. Five molecules of aprotinin interact with one molecule of the sulfated sugar, which is stabilized by electrostatic interactions between the positively charged residues of aprotinin and sulfate groups of SOS. The multiple binding modes of SOS with five individual aprotinin molecules may represent the diverse patterns of potential heparin binding to aprotinin, reflecting the interactions of densely packed protein molecules along the heparin polymer.

PubMed: 20529698
DOI: 10.1016/j.bbrc.2010.05.113

実験手法

X-RAY DIFFRACTION (1.7 Å)