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. 2019 Apr 19;62(9):4483–4499. doi: 10.1021/acs.jmedchem.9b00020

Figure 4.

Figure 4

Crystal structure of the MtbAdoK-7 complex. (a) 7 bound to the active site to MtbAdoK. Chain A is colored gray and chain B is colored magenta. (b) The bulky substituent of 7 (gray) forces the compound to bind in a different orientation with respect to adenosine (blue; PDB ID 2PKM). (c) The bulky substituent forces Arg176 to open the cavity while the distal benzene ring is reoriented back into the active site groove that is formed by residues of chain A (heteroatom) and chain B (magenta).