2V3O

Thrombin with 3-cycle with F

2V3O の概要

• エントリーDOI: 10.2210/pdb2v3o/pdb
• 関連するPDBエントリー: 2V3H
• 関連するBIRD辞書のPRD_ID: PRD_000481
• 分子名称: THROMBIN HEAVY CHAIN, HIRUDIN IIA, THROMBIN LIGHT CHAIN, ... (7 entities in total)
• 機能のキーワード: serine protease inhibitor complex, blood clotting, cleavage on pair of basic residues, serine protease inhibitor, disease mutation, blood coagulation, sulfation, acute phase, glycoprotein, gamma-carboxyglutamic acid, serine protease, calcium-binding, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: HOMO SAPIENS (HUMAN); 詳細
• 細胞内の位置: Secreted, extracellular space: P00734 P00734; Secreted: P01050
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 34801.83

構造登録者

Banner, D.W.,Wessel, H.P. (登録日: 2007-06-19, 公開日: 2008-06-24, 最終更新日: 2025-04-09)

主引用文献

Mueller, K.,Faeh, C.,Diederich, F.
Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317:1881-, 2007

PubMed Abstract: Fluorine substituents have become a widespread and important drug component, their introduction facilitated by the development of safe and selective fluorinating agents. Organofluorine affects nearly all physical and adsorption, distribution, metabolism, and excretion properties of a lead compound. Its inductive effects are relatively well understood, enhancing bioavailability, for example, by reducing the basicity of neighboring amines. In contrast, exploration of the specific influence of carbon-fluorine single bonds on docking interactions, whether through direct contact with the protein or through stereoelectronic effects on molecular conformation of the drug, has only recently begun. Here, we review experimental progress in this vein and add complementary analysis based on comprehensive searches in the Cambridge Structural Database and the Protein Data Bank.

PubMed: 17901324
DOI: 10.1126/SCIENCE.1131943

実験手法

X-RAY DIFFRACTION (1.79 Å)