Work — Han Xu

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Hi, What research questions are you exploring in this enzyme mutation experiment?
You
I want to see if mutation X weakens drug binding by disrupting key interactions.
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Electric Field
0.43 V/Å
On average
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Key Finding
The mutation indirectly weakened adjacent stabilizing interactions, leading to a 53% increase in protein flexibility.
Unexpected Finding
Instead of enhancing promiscuity, substrate binding affinity dropped by 40% (ΔG_bind shifted from -8.5 kcal/mol to -5.1 kcal/mol) due to disrupted hydrogen bonding.
Key Finding
The mutation indirectly weakened adjacent stabilizing interactions, leading to a 53% increase in protein flexibility and making the drug binding site less rigid.
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