This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


4nzz

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (12:36, 1 March 2024) (edit) (undo)
 
(2 intermediate revisions not shown.)
Line 1: Line 1:
==Crystal structure of epoxide hydrolase from bacillus megaterium==
==Crystal structure of epoxide hydrolase from bacillus megaterium==
-
<StructureSection load='4nzz' size='340' side='right' caption='[[4nzz]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
+
<StructureSection load='4nzz' size='340' side='right'caption='[[4nzz]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
-
<table><tr><td colspan='2'>[[4nzz]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NZZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NZZ FirstGlance]. <br>
+
<table><tr><td colspan='2'>[[4nzz]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium Priestia megaterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NZZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NZZ FirstGlance]. <br>
-
</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4o08|4o08]]</td></tr>
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.75&#8491;</td></tr>
-
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pyrimidine-5'-nucleotide_nucleosidase Pyrimidine-5'-nucleotide nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.10 3.2.2.10] </span></td></tr>
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4nzz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nzz OCA], [https://pdbe.org/4nzz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nzz RCSB], [https://www.ebi.ac.uk/pdbsum/4nzz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nzz ProSAT]</span></td></tr>
-
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4nzz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nzz OCA], [http://pdbe.org/4nzz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4nzz RCSB], [http://www.ebi.ac.uk/pdbsum/4nzz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4nzz ProSAT]</span></td></tr>
+
</table>
</table>
-
<div style="background-color:#fffaf0;">
+
== Function ==
-
== Publication Abstract from PubMed ==
+
[https://www.uniprot.org/uniprot/G9BEX6_PRIMG G9BEX6_PRIMG]
-
Optically pure epoxides are essential chiral precursors for the production of (S)-propranolol, (S)-alprenolol, and other beta-adrenergic receptor blocking drugs. Although the enzymatic production of these bulky epoxides has proven difficult, here we report a method to effectively improve the activity of BmEH, an epoxide hydrolase from Bacillus megaterium ECU1001 toward alpha-naphthyl glycidyl ether, the precursor of (S)-propranolol, by eliminating the steric hindrance near the potential product-release site. Using X-ray crystallography, mass spectrum, and molecular dynamics calculations, we have identified an active tunnel for substrate access and product release of this enzyme. The crystal structures revealed that there is an independent product-release site in BmEH that was not included in other reported epoxide hydrolase structures. By alanine scanning, two mutants, F128A and M145A, targeted to expand the potential product-release site displayed 42 and 25 times higher activities toward alpha-naphthyl glycidyl ether than the wild-type enzyme, respectively. These results show great promise for structure-based rational design in improving the catalytic efficiency of industrial enzymes for bulky substrates.
+
-
 
+
-
Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.,Kong XD, Yuan S, Li L, Chen S, Xu JH, Zhou J Proc Natl Acad Sci U S A. 2014 Nov 4;111(44):15717-22. doi:, 10.1073/pnas.1404915111. Epub 2014 Oct 20. PMID:25331869<ref>PMID:25331869</ref>
+
-
 
+
-
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+
-
</div>
+
-
<div class="pdbe-citations 4nzz" style="background-color:#fffaf0;"></div>
+
==See Also==
==See Also==
-
*[[Epoxide hydrolase|Epoxide hydrolase]]
+
*[[Epoxide hydrolase 3D structures|Epoxide hydrolase 3D structures]]
-
== References ==
+
-
<references/>
+
__TOC__
__TOC__
</StructureSection>
</StructureSection>
-
[[Category: Pyrimidine-5'-nucleotide nucleosidase]]
+
[[Category: Large Structures]]
-
[[Category: Kong, X D]]
+
[[Category: Priestia megaterium]]
-
[[Category: Xu, J H]]
+
[[Category: Kong XD]]
-
[[Category: Zhou, J H]]
+
[[Category: Xu JH]]
-
[[Category: A/b hydrolase fold]]
+
[[Category: Zhou JH]]
-
[[Category: Epoxide hydrolase]]
+
-
[[Category: Hydrolase]]
+

Current revision

Crystal structure of epoxide hydrolase from bacillus megaterium

PDB ID 4nzz

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4nzz"
Personal tools