Ultraviolet spectroscopic evidence for decreased motion of the active site tyrosine residue of .DELTA.5-3-ketosteroid isomerase by steroid binding

Biochemistry ◽  
1995 ◽  
Vol 34 (19) ◽  
pp. 6562-6572 ◽  
Author(s):  
Qinjian Zhao ◽  
Yaw-Kuen Li ◽  
Albert S. Mildvan ◽  
Paul Talalay
Biochemistry ◽  
1998 ◽  
Vol 37 (41) ◽  
pp. 14386-14393 ◽  
Author(s):  
Nicolas H. Thomä ◽  
Thomas W. Meier ◽  
Philip R. Evans ◽  
Peter F. Leadlay

Biochemistry ◽  
2009 ◽  
Vol 48 (5) ◽  
pp. 951-959 ◽  
Author(s):  
Elizabeth L. Ostrander ◽  
John D. Larson ◽  
Jonathan P. Schuermann ◽  
John J. Tanner

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.


2020 ◽  
Vol 56 (68) ◽  
pp. 9850-9853
Author(s):  
Ahmed Djeghader ◽  
Melanie Rossotti ◽  
Saleh Abdulkarim ◽  
Frédéric Biaso ◽  
Guillaume Gerbaud ◽  
...  

We provide structural and spectroscopic evidence for a molybdenum–phosphate adduct mimicking a proposed reaction intermediate in the active site of a prokaryotic sulfite oxidizing enzyme.


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