2h92

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(New page: 200px<br /><applet load="2h92" size="450" color="white" frame="true" align="right" spinBox="true" caption="2h92, resolution 2.3&Aring;" /> '''Crystal Structure of ...)
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[[Image:2h92.gif|left|200px]]<br /><applet load="2h92" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2h92, resolution 2.3&Aring;" />
 
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'''Crystal Structure of Staphylococcus aureus Cytidine Monophosphate Kinase in complex with cytidine-5'-monophosphate'''<br />
 
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==Overview==
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==Crystal Structure of Staphylococcus aureus Cytidine Monophosphate Kinase in complex with cytidine-5'-monophosphate==
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The crystal structure of Staphylococcus aureus cytidine monophosphate, kinase (CMK) in complex with cytidine 5'-monophosphate (CMP) has been, determined at 2.3 angstroms resolution. The active site reveals novel, features when compared with two orthologues of known structure. Compared, with the Streptococcus pneumoniae CMK solution structure of the enzyme, alone, S. aureus CMK adopts a more closed conformation, with the, NMP-binding domain rotating by approximately 16 degrees towards the, central pocket of the molecule, thereby assembling the active site., Comparing Escherichia coli and S. aureus CMK-CMP complex structures, reveals differences within the active site, including a previously, unreported indirect interaction of CMP with Asp33, the replacement of a, serine residue involved in the binding of CDP by Ala12 in S. aureus CMK, and an additional sulfate ion in the E. coli CMK active site. The detailed, understanding of the stereochemistry of CMP binding to CMK will assist in, the design of novel inhibitors of the enzyme. Inhibitors are required to, treat the widespread hospital infection methicillin-resistant S. aureus, (MRSA), currently a major public health concern.
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<StructureSection load='2h92' size='340' side='right'caption='[[2h92]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2h92]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2H92 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2H92 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C5P:CYTIDINE-5-MONOPHOSPHATE'>C5P</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=2h92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2h92 OCA], [https://pdbe.org/2h92 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2h92 RCSB], [https://www.ebi.ac.uk/pdbsum/2h92 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2h92 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/KCY_STAAW KCY_STAAW]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h9/2h92_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2h92 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The crystal structure of Staphylococcus aureus cytidine monophosphate kinase (CMK) in complex with cytidine 5'-monophosphate (CMP) has been determined at 2.3 angstroms resolution. The active site reveals novel features when compared with two orthologues of known structure. Compared with the Streptococcus pneumoniae CMK solution structure of the enzyme alone, S. aureus CMK adopts a more closed conformation, with the NMP-binding domain rotating by approximately 16 degrees towards the central pocket of the molecule, thereby assembling the active site. Comparing Escherichia coli and S. aureus CMK-CMP complex structures reveals differences within the active site, including a previously unreported indirect interaction of CMP with Asp33, the replacement of a serine residue involved in the binding of CDP by Ala12 in S. aureus CMK and an additional sulfate ion in the E. coli CMK active site. The detailed understanding of the stereochemistry of CMP binding to CMK will assist in the design of novel inhibitors of the enzyme. Inhibitors are required to treat the widespread hospital infection methicillin-resistant S. aureus (MRSA), currently a major public health concern.
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==About this Structure==
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Structure of Staphylococcus aureus cytidine monophosphate kinase in complex with cytidine 5'-monophosphate.,Dhaliwal B, Ren J, Lockyer M, Charles I, Hawkins AR, Stammers DK Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 Aug 1;62(Pt, 8):710-5. Epub 2006 Jul 24. PMID:16880539<ref>PMID:16880539</ref>
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2H92 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus] with SO4, C5P and PG4 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Cytidylate_kinase Cytidylate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.14 2.7.4.14] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2H92 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structure of Staphylococcus aureus cytidine monophosphate kinase in complex with cytidine 5'-monophosphate., Dhaliwal B, Ren J, Lockyer M, Charles I, Hawkins AR, Stammers DK, Acta Crystallograph Sect F Struct Biol Cryst Commun. 2006 Aug 1;62(Pt, 8):710-5. Epub 2006 Jul 24. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16880539 16880539]
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</div>
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[[Category: Cytidylate kinase]]
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<div class="pdbe-citations 2h92" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Staphylococcus aureus]]
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[[Category: Dhaliwal, B.]]
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[[Category: C5P]]
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[[Category: PG4]]
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[[Category: SO4]]
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[[Category: rossmann fold]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 11:36:50 2007''
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==See Also==
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*[[Cytidine monophosphate kinase|Cytidine monophosphate kinase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Staphylococcus aureus]]
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[[Category: Dhaliwal B]]

Current revision

Crystal Structure of Staphylococcus aureus Cytidine Monophosphate Kinase in complex with cytidine-5'-monophosphate

PDB ID 2h92

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