Table 3.
Interaction of bacteriocins with COX-2, CASP9, PI3K, and IL18R by molecular docking.
| Ligands | Proteins | |||
|---|---|---|---|---|
| Cox2 | Caspase9 | PI3K | IL18R | |
| Plantaricin JLA-9 |
Hydrogen bond: ASN34, ASN39, CYS41, CYS47, TYR130, GLY135, LYS137, PRO154, ALA156, ASP158, GLY324, GLN327, GLN461 Hydrophobic interaction: TYR136, LYS137, LEU152, PRO154, ASP157, TRP323, GLU326 |
Hydrogen bond: ALA149, ILE154, LEU155, SER156, ASP228, PRO273, GLY276, GLY277, LYS278, SER339, LYS409 Hydrophobic interaction: ALA149, ILE154 |
Hydrogen bond: ASN170, SER275, ASN756, ARG818, CYS838, GLU849 Hydrophobic interaction: PHE666, ASN822, LEU834, LEU839 pi-Stacking: PHE666 |
Hydrogen bond: ARG25, ASP32, THR126, LYS128, GLN137, GLU141, ASN142, SER143 Hydrophobic interaction: VAL30, PHE36, VAL130, ILE198, LYS200 Salt bridge: ARG147 pi-stacking: TYR145 |
| Lactococcin A |
Hydrogen bond: GLY135, PRO154 Hydrophobic interaction: PRO153, PRO154 |
Hydrogen bond: ARG146, LEU155 Hydrophobic interaction: ILE154, Lys278 pi-Cation interaction: LYS278 |
Hydrogen bond: ASN457, SER474, SER474, GLN475, ASN677 Hydrophobic interaction: TRP446, PRO447, LYS678, THR679 Salt Bridge: HIS676 |
Hydrogen bond: GLU31, ASP32, GLN124, ASN142 Hydrophobic interaction: GLU31, ASP32, THR126, LYS200 |
| Lactococcin mmfii |
Hydrogen bond: THR1, ASN43, ARG44, TYR122, PHE367, GLN372, LYS468, SER471, LYS473 Hydrophobic interaction: PHE64, PHE367, LYS468, PRO542 |
Hydrogen bond: THR1, GLY147, ALA149, ASP150, ILE154, ASP228, GLY276, GLY277, SER339, ARG408, LYS409 Hydrophobic interaction: ALA149, ILE154, LYS278, THR337, ILE396 |
Hydrogen bond: THR1, TYR467, SER474, LYS640, HIS676, ASN677, THR679, ARG808, ASP843, GLY1007, GLY1009 Hydrophobic interaction: TYR470, THR471, GLN478, LYS678, ILE713, VAL845 |
Hydrogen bond: THR1, GLN18, SER21, ASP32, PRO35, LYS128, GLU141, ASN142, SER143, LYS200 Hydrophobic interaction: THR1, PHE36, TYR37, THR139, GLU141, ILE198, LYS200 pi-Stacking: TYR145 |
| Plantaricin W |
Hydrogen bond: ARG44, LYS83, TYR115, ARG120, SER121, TYR122, ILE124, ASP125, SER126, LEU366, GLN370, GLN372, TYR373, LYS532 Hydrophobic interaction: ARG44, PHE64, LYS79, LEU80, VAL89, VAL116, TYR122, LEU123, PHE371 pi-stacking: TYR115 |
Hydrogen bond: SER144, GLY147, ASN148, LEU155, ALA220, THR270, GLY276, GLY277, LYS278, LEU335, THR337, GLU378, TYR397, PHE412 Hydrophobic interaction: ALA141, GLU143, LEU145, LEU151, PRO273, LYS278, TYR397 |
Hydrogen bond: GLY122, HIS450, VAL461, TYR467, ARG472, SER474, GLN478, LYS672, MET675, HIS676, THR679, GLN721, ASN803, GLY804, ASP843, GLN1014 Hydrophobic interaction: PRO447, PRO449, ILE459, TYR467, TYR470, ARG472, GLN478, ILE713, VAL845 Salt bridge: ASP717 |
Hydrogen bond: ARG39, LYS67, GLU69, ARG104, SER105, ASP110, GLN114, GLY122, LEU144, ASP209, ASN212, VAL214, THR306 Hydrophobic interaction: PRO43, GLU69, LYS70, ARG104, PRO107, LEU144, ILE213, VAL214 Salt bridge: GLU116, GLU121 |
| Bacteriocin 28b |
Hydrogen bond: GLY225, VAL228, ASN375, GLY536, ASN537 Hydrophobic interaction: LEU145 pi-stacking: PHE142 |
Hydrogen bond: ASP228 Hydrophobic interaction: ALA149, ILE154 |
Hydrogen bond: SER629, HIS670, ARG818, CYS838 Hydrophobic interaction: ARG662 pi-stacking: PHE666 |
Hydrogen bond: SER7, SER50, LEU144 Hydrophobic interaction: ILE48, ILE71, PRO107 |
| Plantaricin D |
Hydrogen bond: ASN34, ASN39, CYS47, SER49, VAL132, GLY135, TYR136, GLU322, TRP323, GLN461 Hydrophobic interaction: ASN34, LEU152, ALA156, GLU326 |
Hydrogen bond: GLY147, ALA149, ILE154, GLY276, GLY277, LEU335, THR337, SER339, ARG408 Hydrophobic interaction: ILE154, LYS278, ILE396 |
Hydrogen bond: ARG4, HIS450, TYR467, SER474, HIS676, ASP843, MET1010 Hydrophobic interaction: TRP424, PRO449, GLN478, MET675, HIS676, LYS678, THR679 |
Hydrogen bond: LYS4, LEU5, SER7, HIS109, ASN111, LYS128, ILE129, GLU131 Hydrophobic interaction: ILE48, ILE71, VAL130, LYS134, PHE135 |
| Plantaricin BN |
Hydrogen bond: ASN34, SER49, GLY135, ASP158, TRP323, GLN327 Hydrophobic interaction: TYR136, GLU326, GLN327 |
Hydrogen bond: ARG146, GLY147, TYR153, LEU155, Phe412, THR415 Hydrophobic interaction: ILE154, LEU155, LYS414 Salt bridge: LYS278 |
Hydrogen bond: HIS450, ASN457, ASN677, THR679 Hydrophobic interaction: TRP424, TRP446, PRO449 Salt bridge: LYS640, ARG80 |
Hydrogen bond: ARG25, ASP32, THR34, TYR37, ASP37, SER143 Hydrophobic interaction: THR23, PHE36, TYR37, TYR145, ILE198, LYS200 Salt bridge: ARG25, LYS200 |