Sandbox Reserved 316
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{{STRUCTURE_3hle | PDB=3hle | SCENE= }} | {{STRUCTURE_3hle | PDB=3hle | SCENE= }} | ||
==Introduction== | ==Introduction== | ||
| - | '''Simvastation synthase''' (LovD) is an enzyme isolated from the natural product biosynthetic pathways of ''Aspergillus terreus''. Simvastatin Synthase is an acyltransferase that converts the inactive monacolin J acid (<scene name='Sandbox_Reserved_316/Blah/1'>MJA</scene>) by dimethylbutyryl chloride to yield the protected form of simvastatin, which is subsequently undergoes lactonization to yield simvastatin. | + | '''Simvastation synthase''' (LovD) is an enzyme isolated from the natural product biosynthetic pathways of ''Aspergillus terreus''. Simvastatin Synthase is an acyltransferase that converts the inactive monacolin J acid (<scene name='Sandbox_Reserved_316/Blah/1'>MJA</scene>) by dimethylbutyryl chloride to yield the protected form of simvastatin, which is subsequently undergoes lactonization to yield simvastatin<ref name="paper">PMID:17277201</ref>. |
LovD can also synthesize the blockbuster drug simvastatin using MJA and a synthetic alpha-dimethylbutyryl thioester, albeit with suboptimal properties as a biocatalyst<ref name="paper">PMID:17277201</ref>. | LovD can also synthesize the blockbuster drug simvastatin using MJA and a synthetic alpha-dimethylbutyryl thioester, albeit with suboptimal properties as a biocatalyst<ref name="paper">PMID:17277201</ref>. | ||
Revision as of 23:12, 23 March 2011
| This Sandbox is Reserved from January 10, 2010, through April 10, 2011 for use in BCMB 307-Proteins course taught by Andrea Gorrell at the University of Northern British Columbia, Prince George, BC, Canada. |
To get started:
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| 3hle, resolution 2.06Å () | |||||||||
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| Ligands: | , | ||||||||
| Related: | 1hld | ||||||||
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| Resources: | FirstGlance, OCA, RCSB, PDBsum | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Introduction
Simvastation synthase (LovD) is an enzyme isolated from the natural product biosynthetic pathways of Aspergillus terreus. Simvastatin Synthase is an acyltransferase that converts the inactive monacolin J acid () by dimethylbutyryl chloride to yield the protected form of simvastatin, which is subsequently undergoes lactonization to yield simvastatin[1].
LovD can also synthesize the blockbuster drug simvastatin using MJA and a synthetic alpha-dimethylbutyryl thioester, albeit with suboptimal properties as a biocatalyst[1].
Exploring the structure
References
- ↑ 1.0 1.1 Xie X, Tang Y. Efficient synthesis of simvastatin by use of whole-cell biocatalysis. Appl Environ Microbiol. 2007 Apr;73(7):2054-60. Epub 2007 Feb 2. PMID:17277201 doi:10.1128/AEM.02820-06
