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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)