FIG 3.

Structural basis for the LEN resistance of the CA(N74D) hexamer. (A) X-ray crystal structure of CA + LEN (light gray + orange; PDB: 6VKV) denoting the hydrogen bonding interaction between LEN and residue N74. Hydrogen bonding interactions are denoted by black dashed lines, and respective distances are indicated. (B) X-ray crystal structure of prestabilized CA(N74D) + LEN (steel blue + sand; PDB: 7RJ4) highlighting the hydrogen bonding interaction between LEN and residue Asp74 via a water molecule. (C and D) Surface rendering of the CA for CA(WT) (PDB: 3H47) and CA(N74D) (PDB: 7RMM), respectively, with the surface potential ranging from −5 to +5. Negatively charged regions are shown in red, and positively charged regions are shown in blue. Potentials were generated via the PDB2PQR server, and the surface was rendered using the adaptive Poisson-Boltzmann solver (APBS).