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. Author manuscript; available in PMC: 2014 Oct 24.
Published in final edited form as: J Med Chem. 2013 Oct 8;56(20):10.1021/jm401217d. doi: 10.1021/jm401217d

Figure 1.

Figure 1

(A) Stereo view of the thiirane analogs (4b, 5b, 6b, 7b) docked to MMP-2 using Glide SP methodology. The ligands are represented in grey carbon capped stick representation while MMP-2 carbon atoms and ribbons are colored aquamarine. Zn2+ is depicted as a gray sphere with coordinating histidines and glutamic acid as capped sticks. Connolly surface in green was generated for MMP-2 except for the loop and zinc coordinating residues for clarity. (B) Compounds superposed to the MMP-14 crystal structure catalytic site (PDB ID: 3MA2) show the bulkier amino acids Gln262 and Met264 substituted at the S1′ selectivity loop region in comparison to Thr426 and Thr428 in MMP-2.