1p6c

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[[Image:1p6c.jpg|left|200px]]<br /><applet load="1p6c" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1p6c.jpg|left|200px]]
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caption="1p6c, resolution 2.0&Aring;" />
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'''crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate'''<br />
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{{Structure
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|PDB= 1p6c |SIZE=350|CAPTION= <scene name='initialview01'>1p6c</scene>, resolution 2.0&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=EBP:DIETHYL+4-METHYLBENZYLPHOSPHONATE'>EBP</scene> and <scene name='pdbligand=DII:METHYLPHOSPHONIC ACID DIISOPROPYL ESTER'>DII</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Aryldialkylphosphatase Aryldialkylphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.8.1 3.1.8.1]
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|GENE= OPD ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=239 Flavobacterium sp.])
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}}
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'''crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1P6C is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Flavobacterium_sp. Flavobacterium sp.] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=EBP:'>EBP</scene> and <scene name='pdbligand=DII:'>DII</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Aryldialkylphosphatase Aryldialkylphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.8.1 3.1.8.1] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P6C OCA].
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1P6C is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Flavobacterium_sp. Flavobacterium sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P6C OCA].
==Reference==
==Reference==
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Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site., Hill CM, Li WS, Thoden JB, Holden HM, Raushel FM, J Am Chem Soc. 2003 Jul 30;125(30):8990-1. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15369336 15369336]
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Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site., Hill CM, Li WS, Thoden JB, Holden HM, Raushel FM, J Am Chem Soc. 2003 Jul 30;125(30):8990-1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15369336 15369336]
[[Category: Aryldialkylphosphatase]]
[[Category: Aryldialkylphosphatase]]
[[Category: Flavobacterium sp.]]
[[Category: Flavobacterium sp.]]
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[[Category: tim barrel]]
[[Category: tim barrel]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:25:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:20:31 2008''

Revision as of 11:20, 20 March 2008

Image:1p6c.jpg


PDB ID 1p6c

Drag the structure with the mouse to rotate
, resolution 2.0Å
Ligands: , and
Gene: OPD (Flavobacterium sp.)
Activity: Aryldialkylphosphatase, with EC number 3.1.8.1
Coordinates: save as pdb, mmCIF, xml



crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate


Overview

The bacterial phosphotriesterase has been utilized as a template for the evolution of improved enzymes for the catalytic decomposition of organophosphate nerve agents. A combinatorial library of active site mutants was constructed by randomizing residues His-254, His-257, and Leu-303. The collection of mutant proteins was screened for the ability to hydrolyze a chromogenic analogue of the most toxic stereoisomer of the chemical warfare agent, soman. The mutant H254G/H257W/L303T catalyzed the hydrolysis of the target substrate nearly 3 orders of magnitude faster than the wild-type enzyme. The X-ray crystal structure was solved in the presence and absence of diisopropyl methyl phosphonate. The mutant enzyme was ligated to an additional divalent cation at the active site that was displaced upon the binding of the substrate analogue inhibitor. These studies demonstrate that substantial changes in substrate specificity can be achieved by relatively minor changes to the primary amino acid sequence.

About this Structure

1P6C is a Single protein structure of sequence from Flavobacterium sp.. Full crystallographic information is available from OCA.

Reference

Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site., Hill CM, Li WS, Thoden JB, Holden HM, Raushel FM, J Am Chem Soc. 2003 Jul 30;125(30):8990-1. PMID:15369336

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