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![[Figure 6]](ag5049fig6mag.jpg)
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Figure 6
Comparison of the ATP-binding mode with fragments B04 and D07 and the in silico-designed CdaA inhibitor compound 7. The structural —N=C—NH2 pattern with two N atoms responsible for hydrogen-bond formation with the main-chain atoms of Leu188 is marked. The π–π stacking interactions are shown as yellow sticks. Tyr187 and Leu188 are shown as sticks. (a) ATP-binding mode in the active site of CdaA. (b) Superposition of CdaA structures with bound D07 and ATP molecules. (c) Superposition of the CdaA structures with bound B04 and ATP molecules. (d) Superposition of the structure of compound 7 with the structures of B04 and D07 provides a solid background for the development (`growing') of compound 7. |
![[Figure 6]](ag5049fig6.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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