1p6c
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 1p6c |SIZE=350|CAPTION= <scene name='initialview01'>1p6c</scene>, resolution 2.0Å | |PDB= 1p6c |SIZE=350|CAPTION= <scene name='initialview01'>1p6c</scene>, resolution 2.0Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=DII:METHYLPHOSPHONIC+ACID+DIISOPROPYL+ESTER'>DII</scene>, <scene name='pdbligand=EBP:DIETHYL+4-METHYLBENZYLPHOSPHONATE'>EBP</scene>, <scene name='pdbligand=LCX:CARBOXYLATED+LYSINE'>LCX</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |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] | + | |ACTIVITY= <span class='plainlinks'>[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] </span> |
|GENE= OPD ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=239 Flavobacterium sp.]) | |GENE= OPD ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=239 Flavobacterium sp.]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1p6b|1P6B]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1p6c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p6c OCA], [http://www.ebi.ac.uk/pdbsum/1p6c PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1p6c RCSB]</span> | ||
}} | }} | ||
| Line 28: | Line 31: | ||
[[Category: Raushel, F M.]] | [[Category: Raushel, F M.]] | ||
[[Category: Thoden, J B.]] | [[Category: Thoden, J B.]] | ||
| - | [[Category: DII]] | ||
| - | [[Category: EBP]] | ||
| - | [[Category: ZN]] | ||
[[Category: metalloenzyme]] | [[Category: metalloenzyme]] | ||
[[Category: nerve agent]] | [[Category: nerve agent]] | ||
[[Category: tim barrel]] | [[Category: tim barrel]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:55:28 2008'' |
Revision as of 19:55, 30 March 2008
| |||||||
| , resolution 2.0Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Gene: | OPD (Flavobacterium sp.) | ||||||
| Activity: | Aryldialkylphosphatase, with EC number 3.1.8.1 | ||||||
| Related: | 1P6B
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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
Page seeded by OCA on Sun Mar 30 22:55:28 2008
