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Куркумин усиливает связывание АФМ1 с белками МКБ: молекулярно-докинговое исследование
Comparative analysis of binding pockets on 4OXD and 7QFG proteins
Protein | Ligand | Key Contact Residues | Pocket Overlap |
4OXD | AFM1 | GLU139:A, ALA140:A, ARG143:A, GLY89:C, GLU90:C, LYS95:C, HIS115:C, TYR116:C | — |
4OXD | Curcumin | TYR63:B, ASP71:B, GLU72:B, ILE73:B, TYR86:B, PRO88:B, GLY89:B, GLU90:B, ARG209:B | None (distinct pockets) |
7QFG | AFM1 | ARG320, ILE321, MET322, VAL392, ASN401, VAL403, VAL404, LEU405, GLU409 | — |
7QFG | Curcumin | ARG320, ILE321, MET322, VAL392, ASN401, VAL403, VAL404, LEU405, GLU409 | Complete (same pocket) |
