Table 9 Interaction results of β-defensin 1 against cystalysin and dentilisin of T. denticola
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 |
|---|---|---|---|---|---|
15 | 927 | − 40.846 | 3 | Thr274, Trp275 of cystalysin with Tyr28 of β-defensin 1 (5.721 Å, 5.886 Å) Leu62 of cystalysin with Tyr14 of β-defensin 1 (4.978 Å) Ser269 of cystalysin with Ser15 of β-defensin 1 (3.713 Å) | 151 |
10 | 820 | − 41.028 | 3 | Asp 439 of dentilisin with Tyr14 of β-defensin 1 (4.159 Å) Tyr440 of dentilisin with Tyr14 of β-defensin 1 (2.460 Å) Pro169 of dentilisin with Arg29 of β-defensin 1 (4.625 Å) | 205 |