Table 4 A comparison of the intermolecular interactions between the mutation site and neighbouring residues for the WT and variants
Mutation site | Neighbouring residue | Hydrogen bonds between residues (WT) | Hydrogen bonds between residues (Variant) | ||||
|---|---|---|---|---|---|---|---|
Variant | Position | Mutated residue | Distance (Ã…) | Bonds | Distance (Ã…) | Bonds | |
Canton | 459 | Arg-> Leu (αn 455–473) | Asp 181 (αe 177–190) | 2.6 | 1 | 3.7 | 0 |
Viangchan | 291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 2.4 | 0 |
Canton + Viangchan (R459L + V291M) | 459 | Arg-> Leu (αn 455–473) | Asp 181 (αe 177–190) | 2.6 | 1 | 3.8 | 0 |
291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 2.4 | 0 | |
Valladolid | 136 | Arg- > Cys (βD 136–140) | Asn 122 (αc 115–132) | 3.2 | 5 | – | 2 |
|  |  |  | Cys 158 (αd-βE loop 157–164) | 3.2 |  | – |  |
|  |  |  | Gly 131 (αc 115–132) | 3.1 |  | – |  |
|  |  |  | Arg 166 (αd-βE loop 157–164) | 3.0 |  | 2.1 |  |
|  |  |  | Trp 164 (αd-βE loop 157–164) | 2.8 |  | 2.5 |  |
Viangchan | 291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 2.4 | 0 |
Valladolid + Viangchan (R136C + V291M) | 342 | Arg- > Cys (βD 136–140) | Asn 122 (αc 115–132) | 3.2 | 5 | – | 2 |
|  |  | Cys 158 (αd-βE loop 157- 164) | 3.2 |  | – |  | |
|  |  | Gly 131 (αc 115–132) | 3.1 |  | – |  | |
|  |  | Arg 166 (αd-βE loop 157- 164) | 3.0 |  | 1.8 |  | |
|  |  | Trp 164 (αd-βE loop 157- 164) | 2.8 |  | 1.9 |  | |
291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 3.3 | 0 | |
Gaohe | 32 | His- > Arg (βA 32–37) | Phe 66 (βB 65–71) | 1.8 | 2 | 1.9 | 2 |
Viangchan | 291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 2.4 | 0 |
Gaohe + Viangchan (H32R + V291M) | 32 | His- > Arg (βA 32–37) | Phe 354 (βJ 353–360) | 1.8 | 2 | 1.9 | 2 |
291 | Val- > Met (αj 281–292) | Cys 294 (αj–αk loop 293–299) | 2.3 | 0 | 2.4 | 1 | |
Gond | 159 | Met- > Ile (αd-βE loop 157–164) | Ser 157 (αd 145–158) | 2.7 | 1 | 3.3 | 0 |