3QTV

Thrombin Inhibition by Pyridin Derivatives

Summary for 3QTV

• Entry DOI: 10.2210/pdb3qtv/pdb
• Related: 1K1O 1K22 2ZQ1 3EQ0 3F68 3QTO 3QWC 3QX5
• Related PRD ID: PRD_001083
• Descriptor: Thrombin light chain, Thrombin heavy chain, Hirudin variant-2, ... (9 entities in total)
• Functional Keywords: serine protease, kringle, hydrolase, blood coagulation, blood clotting, convertion of fibrinogen to fibrin, cleavage on pairs of basic residues, blood clotting inhibitor, thrombin inhibitor, glycosylation, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 3
• Total formula weight: 36361.15

Authors

Biela, A.,Heine, A.,Klebe, G. (deposition date: 2011-02-23, release date: 2012-02-29, Last modification date: 2023-12-06)

• Primary citation: Biela, A.,Khayat, M.,Tan, H.,Kong, J.,Heine, A.,Hangauer, D.,Klebe, G.; Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin; J.Mol.Biol., 418:350-366, 2012; PubMed: 22366545; DOI: 10.1016/j.jmb.2012.01.054

Experimental method

X-RAY DIFFRACTION (1.63 Å)