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. Author manuscript; available in PMC: 2016 Jan 31.
Published in final edited form as: Chem Biol Drug Des. 2014 Jul 11;85(2):99–106. doi: 10.1111/cbdd.12381

Figure 2.

Figure 2

Ligand binding pockets as calculated by POVME. Pockets for the 2L1R NMR structure (A) and three of the representative MD cluster centers (B–D) are shown. Ligands were removed before the actual pocket calculation. Calculated pocket volumes are 309 Å3 (A), 145 Å3 (B), 108 Å3 (C), and 241 Å3 (D). The structural components of cTnC and cTnI are labeled in panel A.