View source for 4pka


==Crystal structure of patatin aged with diisopropylphosphorofluoridate==
<StructureSection load='4pka' size='340' side='right'caption='[[4pka]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4pka]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Solanum_cardiophyllum Solanum cardiophyllum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PKA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PKA FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MIS:MONOISOPROPYLPHOSPHORYLSERINE'>MIS</scene></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=4pka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pka OCA], [https://pdbe.org/4pka PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pka RCSB], [https://www.ebi.ac.uk/pdbsum/4pka PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pka ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PAT17_SOLCD PAT17_SOLCD] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Patatin is a non-specific plant lipase and the eponymous member of a broad class of serine hydrolases termed the patatin-like phospholipase domain containing proteins (PNPLAs). Certain PNPLA family members can be inhibited by organophosphorus (OP) compounds. Currently, no structural data are available on the modes of interaction between the PNPLAs and OP compounds or their native substrates. To this end, we present the crystal structure of patatin-17 (pat17) in its native state as well as following inhibition with methyl arachidonyl fluorophosphonate (MAFP) and inhibition/aging with diisopropylphosphorofluoridate (DFP). The native pat17 structure revealed the existence of two portals (portal1 and portal2) that lead to its active-site chamber. The DFP-inhibited enzyme underwent the aging process with the negatively charged phosphoryl oxygen, resulting from the loss of an isopropyl group, being within hydrogen-binding distance to the oxyanion hole. The MAFP-inhibited pat17 structure showed that MAFP did not age following its interaction with the nucleophilic serine residue (Ser77) of pat17 since its O-methyl group was intact. The MAFP moiety is oriented with its phosphoryl oxygen in close proximity to the oxyanion hole of pat17 and its O-methyl group located farther away from the oxyanion hole of pat17 relative to the DFP-bound state. The orientation of the alkoxy oxygens within the two OP compounds suggests a role for the oxyanion hole in stabilizing the emerging negative charge on the oxygen during the aging reaction. The arachidonic acid side chain of MAFP could be contained within portals 1 or 2. Comparisons of pat17 in the native, inhibited, and aged states showed no significant global conformational changes with respect to their Calpha backbones, consistent with observations from other alpha/beta hydrolases such as group VIIA phospholipase A2.

Crystal structure of patatin-17 in complex with aged and non-aged organophosphorus compounds.,Wijeyesakere SJ, Richardson RJ, Stuckey JA PLoS One. 2014 Sep 23;9(9):e108245. doi: 10.1371/journal.pone.0108245., eCollection 2014. PMID:25248161<ref>PMID:25248161</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4pka" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Solanum cardiophyllum]]
[[Category: Richardson RJ]]
[[Category: Stuckey JA]]
[[Category: Wijeyesakere SJ]]