Table 7.
Blind docking of Zinc Oxide nanoparticle with Penicillin-binding protein 6 (PBP6).
| Conformation | Binding Residues | Binding Trend | Binding Energy |
|---|---|---|---|
| Frame 1 | Thr210, Gly211, Thr212,Arg244,Ser40, Lys43, Ser82, | Catalytic Triad, Active site, Catalytic diad, Active site loop 1 | −4.3 |
| Frame 2 | Thr210, Gly211,Ser106, Asn108,Ser40, Lys43 | Catalytic Triad,(Ser-X-Asn) Motif,Catalytic Diad | −3.9 |
| Frame 3 | Thr210, Gly211, Thr212,Arg244, Phe245,Ser40, Lys43, Ser82, | Catalytic Triad, Active site, Catalytic diad, Active site loop 1 | −3.9 |
| Frame 4 | Thr210, Gly211, Thr212,Arg244, Phe245,Ser40, Lys43, Ser82, Ser83 | Catalytic Triad, Active site, Catalytic diad, Active site loop 1 | −3.8 |
| Frame 5 | Thr210, Gly211, Thr212,Arg244,Ser40, Lys43, | Catalytic Triad, Active site, Catalytic diad | −3.8 |
| Frame 6 | Ser106, Asn108,Ser40, Lys43 | (Ser-X-Asn) Motif,Catalytic Diad | −3.8 |
| Frame 7 | Ser106, Asn108,Ser40, Lys43, Ser82 | (Ser-X-Asn) Motif,Catalytic Diad, Active site loop 1 | −3.5 |
| Frame 8 | Thr210, Gly211,Arg244, Phe245,Ser40, Lys43 | Catalytic Triad, Active site, Catalytic diad | −3.4 |
| Frame 9 | Thr210, Gly211,Arg244,Ser40, Lys43 | Catalytic Triad, Active site, Catalytic diad, | −3.4 |