4ne2: Difference between revisions
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==Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae== | ==Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae== | ||
<StructureSection load='4ne2' size='340' side='right' caption='[[4ne2]], [[Resolution|resolution]] 1.90Å' scene=''> | <StructureSection load='4ne2' size='340' side='right'caption='[[4ne2]], [[Resolution|resolution]] 1.90Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4ne2]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[4ne2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae_342 Klebsiella pneumoniae 342]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NE2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NE2 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SH2:(R)-N-(3-((2-(BENZO[D][1,3]DIOXOL-5-YL)ETHYL)AMINO)-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDE'>SH2</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SH2:(R)-N-(3-((2-(BENZO[D][1,3]DIOXOL-5-YL)ETHYL)AMINO)-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDE'>SH2</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=4ne2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ne2 OCA], [https://pdbe.org/4ne2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ne2 RCSB], [https://www.ebi.ac.uk/pdbsum/4ne2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ne2 ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/COAA_KLEP3 COAA_KLEP3] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 17: | Line 18: | ||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4ne2" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
*[[Pantothenate kinase|Pantothenate kinase]] | *[[Pantothenate kinase 3D structures|Pantothenate kinase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Klebsiella pneumoniae 342]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Antoshchenko | [[Category: Antoshchenko T]] | ||
[[Category: Hughes | [[Category: Hughes SJ]] | ||
[[Category: Kim | [[Category: Kim KP]] | ||
[[Category: Park | [[Category: Park HW]] | ||
[[Category: Smil | [[Category: Smil D]] | ||
Latest revision as of 19:55, 20 September 2023
Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniaePantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae
Structural highlights
FunctionPublication Abstract from PubMedPantothenate kinase (PanK) is the rate-limiting enzyme in Coenzyme A biosynthesis, catalyzing the ATP-dependent phosphorylation of pantothenate. We solved the co-crystal structures of PanKs from Staphylococcus aureus (SaPanK) and Klebsiella pneumonia (KpPanK) with N-[2-(1,3-benzodioxol-5-yl)ethyl] pantothenamide (N354-Pan). Two different N354-Pan conformers interact with polar/nonpolar mixed residues in SaPanK and aromatic residues in KpPanK. Additionally, phosphorylated N354-Pan is found at the closed active site of SaPanK but not at the open active site of KpPanK, suggesting an exchange of the phosphorylated product with a new N354-Pan only in KpPanK. Together, pantothenamides conformational flexibility and binding pocket are two key considerations for selective compound design. Proteins 2014. (c) 2014 Wiley Periodicals, Inc. Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumonia and Staphylococcus aureus.,Hughes SJ, Antoshchenko T, Kim KP, Smil D, Park HW Proteins. 2014 Jan 28. doi: 10.1002/prot.24524. PMID:24470271[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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