TABLE 2.
Contacts between rWTX(P33A) and M1- and M3-mAChR in the modeled complexes
| M1-mAChR residues | rWTX(P33A) residuesa | M3-mAChR residues | rWTX(P33A) residuesa |
|---|---|---|---|
| ECL1 | |||
| His-90, Trp-91 | Arg-31(H) | Asn-132 | Arg-32(H) |
| His-90 | Arg-31(T) | ||
| ECL2 | |||
| Val-168 | Gly-12(H) | Lys-213 | Glu-53(I) |
| Glu-170 | Lys-62, Arg-65(I) | Thr-215 | His-29(H) |
| Glu-170 | Arg-65(H) | Glu-220 | Gln-30(H) |
| Gln-177 | Arg-32(H) | Glu-220 | Arg-32, Arg-37(I) |
| Gln-181 | Arg-32, Ser-35(H) | Gln-224 | Tyr-52(H) |
| Ser-227 | Tyr-52(H) | ||
| ECL3 and top of TM7 | |||
| Asp-393 | Arg-37(I) | Asp-518 | Arg-31(I) |
| Glu-397 | Arg-32, Arg-37(I) | ||
| Glu-397 | Arg-37(H) | ||
| Trp-400 | Arg-32(T) | ||
| Glu-401 | Arg-32(I) | ||
| Tyr-404 | Ala-33(H) | ||
a Types of interactions are as follows: H indicates hydrogen bond; T indicates T-shaped stacking; I indicates ionic.