Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP

Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5 Authors: Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C. Deposit date: 2021-09-27 Release date: 2022-01-19 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate Acs Catalysis, 11, 2021

本数据集为固定臂Trx-3ost5（I299E）与8mer-1八糖底物及辅因子产物腺苷-3',5'-二磷酸（Adenosine-3'-5'-Diphosphate，缩写PAP）形成的三元复合物。其底物结构为：2-脱氧-6-O-磺基-2-(磺酰胺基)-α-D-吡喃葡萄糖-(1→4)-β-D-吡喃葡萄糖醛酸-(1→4)-2-脱氧-6-O-磺基-2-(磺酰胺基)-α-D-吡喃葡萄糖-(1→4)-β-D-吡喃葡萄糖醛酸-(1→4)-2-脱氧-6-O-磺基-2-(磺酰胺基)-α-D-吡喃葡萄糖-(1→4)-β-D-吡喃葡萄糖醛酸。复合物组分还包含硫氧还蛋白1（Thioredoxin 1）与乙酰肝素葡糖胺3-O-磺基转移酶5（Heparan sulfate glucosamine 3-O-sulfotransferase 5）。作者信息：Wander R、Kaminski A.M.、Krahn J.M.、Liu J.、Pedersen L.C.；提交日期：2021年9月27日，发布日期：2022年1月19日，最后修改日期：2024年10月30日；实验方法：X射线衍射（分辨率2.9 Å）；引用文献：《3-O-磺基转移酶同工型5催化合成乙酰肝素的结构与底物特异性分析》，发表于ACS Catalysis，2021年，第11卷。