2V3H

Thrombin with 3-cycle no F

Summary for 2V3H

• Entry DOI: 10.2210/pdb2v3h/pdb
• Related: 2V3O
• Related PRD ID: PRD_000481
• Descriptor: THROMBIN HEAVY CHAIN, HIRUDIN IIA, THROMBIN LIGHT CHAIN, ... (7 entities in total)
• Functional Keywords: serine protease inhibitor complex, blood clotting, gamma-carboxyglutamic acid, serine protease, calcium-binding, disease mutation, blood coagulation, sulfation, acute phase, glycoprotein, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: HOMO SAPIENS (HUMAN); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P28503
• Total number of polymer chains: 3
• Total formula weight: 34783.84

Authors

Banner, D.W.,Obst, U. (deposition date: 2007-06-18, release date: 2008-06-24, Last modification date: 2025-04-09)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.79 Å)