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. Author manuscript; available in PMC: 2021 Mar 17.
Published in final edited form as: Acc Chem Res. 2020 Mar 5;53(3):654–661. doi: 10.1021/acs.accounts.9b00613

Figure 3.

Figure 3.

A new cryptic pocket in TEM1 β-lactamase that was discovered with MSMs and subsequently confirmed by experimental tests. An open structure (blue) is overlaid on the apo crystal structure (gray) with the key catalytic serine (S70) in sticks (orange). The red arrow highlights a large loop motion that creates a cryptic pocket adjacent to the active site.