Table 2.
The type of chemical bonds between dapsone and wild-type and variant DHPS.
| NO | Interaction | DHPS | P55I | T53A | T53I | V39I |
|---|---|---|---|---|---|---|
| 1 | Hydrogen Bond | Arg253 | Arg214 | Arg253 | Arg253 | Arg253 |
| Arg54 | Asp177 | Arg54 | Arg54 | Arg54 | ||
| Asp86 | Asp86 | Asp86 | Asp86 | |||
| Glu51 | Glu51 | Glu51 | Glu51 | |||
| Gly209 | Gly209 | Gly209 | Gly209 | |||
| 2 | Van der Waals | Asn13 | Ala137 | Asn13 | Asn13 | Asn13 |
| Gly49 | Arg54 | Gly49 | Gly49 | Gly49 | ||
| Gly50 | Gly179 | Gly50 | Gly50 | Gly50 | ||
| His255 | Gly181 | His255 | His255 | His255 | ||
| Phe182 | Gly209 | Lys213 | Phe182 | Phe182 | ||
| Ser211 | Leu180 | Phe182 | Ser211 | Ser211 | ||
| Ser52 | Leu208 | Ser211 | Ser52 | Ser52 | ||
| Thr53 | Leu55 | Ser52 | Val107 | Thr53 | ||
| Thr87 | Lys213 | Thr15 | Val11 | Thr87 | ||
| Val107 | Val107 | Val107 | Val254 | Val107 | ||
| Val11 | Val11 | Val11 | ||||
| Val254 | Val254 | |||||
| 3 | Unfavourable donor-Donor | - | Arg253 | - | - | - |
| 4 | Pi-Cation | Lys213 | - | - | Lys213 | Lys213 |
| 5 | Pi-Sulfur | - | Met130 | - | - | - |
| 6 | Pi-Akyl | - | - | Ala53 | Ile53 | - |
| 7 | Pi-Pi Stacked | - | Phe182 | - | - | - |
| Thr53 |