3QTO

Thrombin Inhibition by Pyridin Derivatives

Summary for 3QTO
Related1K1O 1K22 2ZQ1 3EQ0 3F68 3QTV 3QWC 3QX5
Related PRD IDPRD_001079
DescriptorThrombin light chain, Thrombin heavy chain, Hirudin variant-2, ... (9 entities in total)
Functional Keywordsserine 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 sourceHomo sapiens (human)
More
Total number of polymer chains3
Total formula weight36361.15
Authors
Biela, A.,Heine, A.,Klebe, G. (deposition date: 2011-02-23, release date: 2012-02-29, Last modification date: 2020-07-29)
Primary citationBiela, A.,Hangauer, D.,Heine, A.,Khayat, M.,Klebe, G.,Kong, J.,Tan, H.
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: 110.1016/j.jmb.2012.01.054
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.52 Å)
Structure validation
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PDB entries from 2021-06-23