2GDE

Thrombin in complex with inhibitor

Summary for 2GDE

• Entry DOI: 10.2210/pdb2gde/pdb
• Descriptor: Thrombin light chain, Thrombin heavy chain, Hirudin, ... (6 entities in total)
• Functional Keywords: thrombin, complex structure, blood clotting-hydrolase inhibitor complex, blood clotting/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P28504
• Total number of polymer chains: 3
• Total formula weight: 35858.25

Authors

Xue, Y. (deposition date: 2006-03-16, release date: 2007-03-20, Last modification date: 2024-11-06)

Primary citation

Hanessian, S.,Del Valle, J.R.,Xue, Y.,Blomberg, N.
Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128:10491-10495, 2006

PubMed Abstract: The first enantiocontrolled total synthesis of the marine sponge metabolite chlorodysinosin A is described. The structure and absolute configuration are identical to those of dysinosin A except for the presence of a novel 2S,3R-3-chloroleucine residue in the former. A concise stereocontrolled synthesis of the new chlorine-containing amino acid fragment was developed. An X-ray cocrystal structure of synthetic chlorodysinosin A with the enzyme thrombin confirms the structure and configuration assignment achieved through total synthesis. Within the aeruginosin family of natural products, chlorodysinosin A is the most potent inhibitor of the serine proteases thrombin, factor VIIa, and factor Xa, which are critical enzymes in the process leading to platelet aggregation and fibrin mesh formation in humans.

PubMed: 16895415
DOI: 10.1021/ja0625834

Experimental method

X-RAY DIFFRACTION (2 Å)