Maintenance of α-Helical Structures by Phenyl Rings in the Active-Site Tyrosine Triad Contributes to Catalysis and Stability of Ketosteroid Isomerase fromPseudomonas putidaBiotype B†

Biochemistry ◽  
2001 ◽  
Vol 40 (45) ◽  
pp. 13529-13537 ◽  
Author(s):  
Gyu Hyun Nam ◽  
Do Soo Jang ◽  
Sun-Shin Cha ◽  
Tae-Hee Lee ◽  
Do-Hyung Kim ◽  
...  
1982 ◽  
Vol 257 (21) ◽  
pp. 12589-12593
Author(s):  
T M Penning ◽  
D N Heller ◽  
T M Balasubramanian ◽  
C C Fenselau ◽  
P Talalay

Author(s):  
Dominik M. Behrens ◽  
Bernd Hartke

AbstractWe demonstrate how a full QM/MM derivatization of the recently developed GOCAT model can be utilized in the global optimization of molecular embeddings. To this end, we provide two distinct examples: An $$\text {S}_\text {N}2$$ S N 2 reaction, and one enzymatic example of recent interest, the ketosteroid isomerase. These serve us to highlight the advantages of such an approach and sketch the roadmap for further improvements.


Biochemistry ◽  
1998 ◽  
Vol 37 (41) ◽  
pp. 14386-14393 ◽  
Author(s):  
Nicolas H. Thomä ◽  
Thomas W. Meier ◽  
Philip R. Evans ◽  
Peter F. Leadlay

2015 ◽  
Vol 10 (4) ◽  
pp. 1094-1098 ◽  
Author(s):  
Erik C. Hett ◽  
Hua Xu ◽  
Kieran F. Geoghegan ◽  
Ariamala Gopalsamy ◽  
Robert E. Kyne ◽  
...  

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