Fig. 8.

CVLS predicted hexasaccharide sequences that bind with a consistent mode onto exosite 2 of thrombin. (A) Multiple poses of the only sequence (blue sticks) that satisfied the dual-filter CVLS strategy for 1XMN crystal structure of thrombin and (B) poses of the four sequences (blue sticks) identified for the 1TB6 structure. Thrombin surface and key exosite 2 residues are shown in ribbon and ball and stick representations, respectively. Heparin present in the co-crystal structure is shown as green ball and sticks.