Table 6: The docking interaction data calculations of L, (C4H9)2SnCl2, and [Sn(C4H9)2LCl] with the active sites of
the receptor of Candida albicans oxidoreductase/oxidoreductase INHIBITOR (PDB ID: PDB ID: 5V5Z).
Receptor | Interaction | Distance (Å)∗ | E (kcal/mol) | |
L | −4.6 | |||
N 20 | SG CYS 470 | H-donor | 3.21 (2.22) | −3.7 |
6-ring | CA GLY 472 | pi-H | 3.60 | −0.9 |
(C4H9)2SnCl2 | −1.5 | |||
Cl 2 | N HIS 377 | H-acceptor | 3.25 (2.32) | −0.7 |
Cl 2 | N SER 378 | H-acceptor | 3.26 (2.31) | −0.8 |
[Sn(C4H9)2LCl] | −119.4 | |||
C 33 | NZ LYS 367 | H-acceptor | 2.87 (1.89) | −111.5 |
C 33 | NZ LYS 367 | Ionic | 2.87 | −5.4 |
6-ring | NZ LYS 367 | pi-cation | 3.44 | −1.8 |
6-ring | CA ASP 428 | pi-H | 4.42 | −0.7 |
∗The H-bond lengths are in brackets. |