2BDY

thrombin in complex with inhibitor

Summary for 2BDY

• Entry DOI: 10.2210/pdb2bdy/pdb
• Descriptor: Thrombin, Hirudin IIIB', SODIUM ION, ... (5 entities in total)
• Functional Keywords: thrombin, complex structure, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734; Secreted: P28511
• Total number of polymer chains: 2
• Total formula weight: 35169.13

Authors

Xue, Y. (deposition date: 2005-10-21, release date: 2006-10-24, Last modification date: 2024-11-20)

Primary citation

Hanessian, S.,Therrien, E.,van Otterlo, W.A.,Bayrakdarian, M.,Nilsson, I.,Xue, Y.
Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.
Bioorg.Med.Chem.Lett., 16:1032-1036, 2006

PubMed Abstract: Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analogue showed excellent antithrombin activity. An X-ray co-crystal structure showed the expected interactions.

PubMed: 16290930
DOI: 10.1016/j.bmcl.2005.10.082

Experimental method

X-RAY DIFFRACTION (1.61 Å)