3n2e

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[[Image:3n2e.png|left|200px]]
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==Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535==
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<StructureSection load='3n2e' size='340' side='right' caption='[[3n2e]], [[Resolution|resolution]] 2.53&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3n2e]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3N2E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3N2E FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=OSA:7-AMINO-4-HYDROXY-3-[(E)-(5-HYDROXY-7-SULFONAPHTHALEN-2-YL)DIAZENYL]NAPHTHALENE-2-SULFONIC+ACID'>OSA</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1zuh|1zuh]], [[1zui|1zui]], [[3hr7|3hr7]], [[3mrs|3mrs]], [[3muf|3muf]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">aroK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=210 Helicobacter pylori])</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_kinase Shikimate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.71 2.7.1.71] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3n2e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3n2e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3n2e RCSB], [http://www.ebi.ac.uk/pdbsum/3n2e PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Shikimate kinase (SK), which catalyzes the specific phosphorylation of the 3-hydroxyl group of shikimic acid in the presence of ATP, is the enzyme in the fifth step of the shikimate pathway for biosynthesis of aromatic amino acids. This pathway is present in bacteria, fungi, and plants but absent in mammals and therefore represents an attractive target pathway for the development of new antimicrobial agents, herbicides, and antiparasitic agents. Here we investigated the detailed structure-activity relationship of SK from Helicobacter pylori (HpSK). Site-directed mutagenesis and isothermal titration calorimetry studies revealed critical conserved residues (D33, F48, R57, R116, and R132) that interact with shikimate and are therefore involved in catalysis. Crystal structures of HpSK.SO(4), R57A, and HpSK*shikimate-3-phosphate * ADP show a characteristic three-layer architecture and a conformationally elastic region consisting of F48, R57, R116, and R132, occupied by shikimate. The structure of the inhibitor complex, E114A * 162535, was also determined, which revealed a dramatic shift in the elastic LID region and resulted in conformational locking into a distinctive form. These results reveal considerable insight into the active-site chemistry of SKs and a selective inhibitor-induced-fit mechanism.
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Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism.,Cheng WC, Chen YF, Wang HJ, Hsu KC, Lin SC, Chen TJ, Yang JM, Wang WC PLoS One. 2012;7(3):e33481. Epub 2012 Mar 16. PMID:22438938<ref>PMID:22438938</ref>
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The line below this paragraph, containing "STRUCTURE_3n2e", creates the "Structure Box" on the page.
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{{STRUCTURE_3n2e| PDB=3n2e | SCENE= }}
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===Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_22438938}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 22438938 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_22438938}}
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==About this Structure==
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[[3n2e]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3N2E OCA].
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==Reference==
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<ref group="xtra">PMID:022438938</ref><references group="xtra"/>
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[[Category: Helicobacter pylori]]
[[Category: Helicobacter pylori]]
[[Category: Shikimate kinase]]
[[Category: Shikimate kinase]]

Revision as of 10:35, 28 May 2014

Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535

3n2e, resolution 2.53Å

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