3RLY

Human Thrombin in complex with MI329

Summary for 3RLY

• Entry DOI: 10.2210/pdb3rly/pdb
• Related: 1K1O 2ZQ1 3F68 3P17 3QTO 3RLW 3RM0 3RM2 3RML 3RMM 3RMN 3RMO
• Related PRD ID: PRD_001100
• 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, hirudin, glycosylation, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 36936.83

Authors

Biela, A.,Heine, A.,Klebe, G. (deposition date: 2011-04-20, release date: 2012-04-25, Last modification date: 2023-12-06)

• Primary citation: Biela, A.,Sielaff, F.,Terwesten, F.,Heine, A.,Steinmetzer, T.,Klebe, G.; Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect; J.Med.Chem., 55:6094-6110, 2012; PubMed: 22612268; DOI: 10.1021/jm300337q

Experimental method

X-RAY DIFFRACTION (1.51 Å)