Part:BBa_K3468004:Experience
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Applications of BBa_K3468004
The benzene ring is located in a gully between two aromatic residues TYR87 and TRP185. The distance of PI-PI bond is 6.4A between TRP185 and the benzene ring in part of the first MHET. The whole ligand just fits into the pocket and binds tightly. Three residues of Ser160, Asp206 and His237 formed a catalytic triplet, and ranging was performed: Y87:3.4A;M161:5.4A; H237:4.0A.
Significance of molecular docking for mutant work: The molecular docking model can predict the binding mode and affinity of mutants and ligands, and promote the work of mutants by analyzing the result model.
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