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. 2024 Jul 22;10(15):e34713. doi: 10.1016/j.heliyon.2024.e34713

Table 03.

Interacted amino acid residues of allergen proteins of V. vulgaris with bioactive compounds of Bryophyllum pinnatum.

Protein Compound Contact Residues
1QNX (Ves V5) Bryophyllin A Chain A: CYS8, LYS10, ARG102, PHE151, SER192
Bryophyllin B Chain A: LEU9, LYS10, HIS98, ARG102, ASP103, PHE151, SER192
Bryotoxin A Chain A: CYS8, LYS10, CYS101, ARG102, ASP103, SER147, LYS196
Bryotoxin B Chain A: CYS8, LYS10, THR100, ARG102, PHE151, SER192
2ATM (Ves V2) Bryophyllin A Chain A: TRP119, TYR184, PHE186, PRO190, TYR223, ARG240
Bryophyllin B Chain A: ARG112, TYR180, TYR184
Bryotoxin A Chain A: GLU109, ARG112, ARG116, TRP119, TYR180, TYR184, PHE186, SER189
Bryotoxin B Chain A: TRP119, TYR184, PHE186, PRO190, TYR223, ARG240, GLN266
4QNN (Ves V1) Bryophyllin A Chain A: ASN61, LYS234, CYS227
Chain C: GLU60, ASN61, PHE62, CYS227
Bryophyllin B Chain A: ASN61, GLY217
Chain C: SER55, ASN61, CYS227, THR230
Bryotoxin A Chain B: ASN61, CYS218, GLY219, ILE223, CYS227
Chain D: SER55, GLY224, CYS227, THR230
Bryotoxin B Chain B: ASN61, CYS218, ILE223
Chain D: SER55, ASN61, CYS227