6kcf

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<StructureSection load='6kcf' size='340' side='right'caption='[[6kcf]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
<StructureSection load='6kcf' size='340' side='right'caption='[[6kcf]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6kcf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KCF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6KCF FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6kcf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Candidatus_liberibacter_asiaticus_psy62 Candidatus liberibacter asiaticus psy62]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KCF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KCF FirstGlance]. <br>
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</td></tr><tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/IMP_dehydrogenase IMP dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.205 1.1.1.205] </span></td></tr>
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</td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">quaB, guaB, CLIBASIA_03930 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=537021 Candidatus Liberibacter asiaticus psy62])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6kcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kcf OCA], [http://pdbe.org/6kcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6kcf RCSB], [http://www.ebi.ac.uk/pdbsum/6kcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6kcf ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/IMP_dehydrogenase IMP dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.205 1.1.1.205] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6kcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6kcf OCA], [https://pdbe.org/6kcf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6kcf RCSB], [https://www.ebi.ac.uk/pdbsum/6kcf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6kcf ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/C6XG59_LIBAP C6XG59_LIBAP]] Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.[HAMAP-Rule:MF_01964]
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[[https://www.uniprot.org/uniprot/C6XG59_LIBAP C6XG59_LIBAP]] Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.[HAMAP-Rule:MF_01964]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Citrus huanglongbing (HLB) is a destructive disease that causes significant damage to many citrus producing areas worldwide. To date, no strategy against this disease has been established. Inosine 5'-monophosphate dehydrogenase (IMPDH) plays crucial roles in the de novo synthesis of guanine nucleotides. This enzyme is used as a potential target to treat bacterial infection. In this study, the crystal structure of a deletion mutant of CLas IMPDHDelta98-201 in the apo form was determined. Eight known bioactive compounds were used as ligands for molecular docking. The results showed that bronopol and disulfiram bound to CLas IMPDHDelta98-201 with high affinity. These compounds were tested for their inhibition against CLas IMPDHDelta98-201 activity. Bronopol and disulfiram showed high inhibition at nanomolar concentrations, and bronopol was found to be the most potent molecule (Ki = 234 nM). The Ki value of disulfiram was 616 nM. These results suggest that bronopol and disulfiram can be considered potential candidate agents for the development of CLas inhibitors.
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Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5'-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic.,Nan J, Zhang S, Zhan P, Jiang L Molecules. 2020 May 14;25(10). pii: molecules25102313. doi:, 10.3390/molecules25102313. PMID:32423116<ref>PMID:32423116</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 6kcf" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Inosine monophosphate dehydrogenase 3D structures|Inosine monophosphate dehydrogenase 3D structures]]
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Candidatus liberibacter asiaticus psy62]]
[[Category: IMP dehydrogenase]]
[[Category: IMP dehydrogenase]]
[[Category: Large Structures]]
[[Category: Large Structures]]

Revision as of 17:44, 10 March 2021

Structure of Inosine 5'-monophosphate Dehydrogenase from Candidatus Liberibacter asiaticus str. psy62

PDB ID 6kcf

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