Table 7 Interaction results of β-defensin 1 against gingipains Kgp and RgpB of P. gingivalis
From: In silico targeting of red complex bacteria virulence factors of periodontitis with β-defensin 1
No. of interface residues | Interface area (A0) | Binding energy (Kcal/mol) | No of hydrogen bonds | Interacting residues and bond length | No. of non- bonded contacts |
|---|---|---|---|---|---|
17 | 762 | − 40.814 | 3 | Asn524 of gingipain-Kgp with Ile19 of β-defensin 1 (6.094 Å) Tyr550 of gingipain-Kgp with Val6 of β-defensin 1 (4.340 Å) Asp236 of gingipain-Kgp with Ser7 of β-defensin 1 (6.074 Å) | 149 |
14 | 804 | − 55.277 | 4 | Val269 of gingipain-RgpB with Ser7 of β-defensin 1 (4.515 Å) Met617 of gingipain-RgpB with Asp1 of β-defensin 1 (3.456 Å) Ser635 of gingipain-RgpB with Cyx27 of β-defensin 1 (5.963 Å) Met617of gingipain-RgpB with Asp4 of β-defensin 1 (5.629 Å) | 216 |