Difference between revisions of "Part:BBa K3468027:Experience"

 
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===Applications of BBa_K3468027===
 
===Applications of BBa_K3468027===
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The benzene ring is located in a gully between two aromatic residues TYR87 and TRP185.
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The distance of PI-PI bond is 4.7A between TRP185 and the benzene ring in part of the first MHET.
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The whole ligand just fits into the pocket and binds tightly.
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Three residues of Ser160, Asp206 and His237 formed a catalytic triplet, and ranging was performed: Y87:4.7A ;M161:5.1A; H237:4.7A.
  
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Significance of molecular docking for mutant work:
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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.
 
===User Reviews===
 
===User Reviews===
 
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Revision as of 08:19, 26 October 2020


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Please enter how you used this part and how it worked out.

Applications of BBa_K3468027

The benzene ring is located in a gully between two aromatic residues TYR87 and TRP185. The distance of PI-PI bond is 4.7A 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: Y87:4.7A ;M161:5.1A; H237:4.7A.

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.

User Reviews

UNIQ314dc3454e943e4a-partinfo-00000000-QINU UNIQ314dc3454e943e4a-partinfo-00000001-QINU