Fig 5. Re-docking studies for human ACE2 and human TMPRSS2 model with their crystal inhibitors.

(A, B) Human ACE2. (C, D) Human TMPRSS2 model. The most stable docking mode of crystal inhibitor shows in CPK color using tubes. The original crystal structure of the inhibitor is represented by black tubes. A magenta sphere shows Zn²⁺ ion and a green sphere shows the Cl⁻ ion. The inhibitor-binding site located at 3 Å from all heavy atoms of the crystal inhibitor is shown in cyan color. Amino acid residues located at 3 Å from the inhibitor are shown using thin tubes with label. Hydrogen atoms are neglected.