Table 8 Interaction results of β-defensin 1 with BspA, karilysin, and mirolysin of T. forsythia
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 |
|---|---|---|---|---|---|
9 | 706 | − 40.146 | 1 | Lys133 of BspA with Tyr28 of β-defensin 1 (4.907 Å) | 169 |
9 | 706 | − 31.705 | 1 | Lys132 of karilysin with Tyr28 of β-defensin 1 (5.416 Å) | 124 |
11 | 525 | − 30.602 | 3 | Asp239 of mirolysin with Tyr14 of β-defensin 1 (4.994 Å) Tyr258 of mirolysin with Cyx12 of β-defensin 1 (5.918 Å) Gly240 of mirolysin with Ser15 of β-defensin 1 (3.709 Å) | 108 |