Table 6.
Ligand–protein interactions analysis for four top-ranked TQ-protein docked systems, namely bacterial Ddl-TQ and qacR-TQ as well as fungal N-myristoyltransferase-TQ and NADPH-dependent D-xylose reductase-TQ complexes.
| Enzymes in Complex with TQ | Residues Involved in Hydrophobic Interactions | Residues Involved in H-Bonds | Residues Involved in Pi-Pi Stacking | Residues Involved in Pi-Sigma Interactions |
|---|---|---|---|---|
| D-alanyl-D-alanine synthetase | Glu57, Glu58, Trp61, Gln64, Glu90, Gln96 | Tyr123, Thr89 | Tyr93 | - |
| Transcriptional regulator qacR | Val 131, Ile163, Lys190, Ala191, Leu192, Val195, Tyr223 | - | Phe151 | Phe272 |
| N-myristoyltransferase | His227, Gln226 Tyr335, Leu355, Asn392, Cys393, Leu415, Leu450, Val 449 | - | Tyr354 | Leu394 |
| NADPH-dependent D-xylose reductase | Asp47, Lys81, His114, Gln191, Ser224, Ile272, Pro273, Lys274, Asn310 | Tyr52, Ser218 | Tyr217 | Trp24 |