Summary
PDB 3SOR deposited: 2011-06-30 modified: 2013-01-23
Title Factor XIa in complex with a clorophenyl-tetrazole inhibitor
Authors Carswell, E., Cooke, A., Dempster, M., Fradera, X., Hamilton, W., Jestel, A., Kazemier, B., Krapp, S., Nagel, S., Oubrie, A.
Method X-RAY DIFFRACTION
Structure factors resolution 1.8 rfactor 0.2224 rfree 0.2963
DPI 0.45 theoretical min: 0.18
Related PDB Entries 3SOS
Citations

Factor XI (FXI) is a key enzyme in the coagulation pathway and an attractive target for the development of anticoagulant drugs. A small number of high-resolution crystal structures of FXIa in complex with small synthetic inhibitors have been published to date. All of these ligands have a basic P1 group and bind exclusively in the nonprime side of the active site of FXIa. Here, two structures of FXIa in complex with nonbasic inhibitors that occupy both the prime and nonprime sides of the active site are presented. These new structures could be valuable in the design and optimization of new FXIa synthethic inhibitors.

Acta Crystallogr.,Sect.F 2012 Apr; 68(Pt 4):404-408 doi:10.1107/S1744309112009037

Cross References
Database source Identifier Description
PubMed 22505407
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
3SOR/0 3SOR 0 monomer 0 1 2 1916