4f7w
From Proteopedia
(Difference between revisions)
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4f7w]] is a 8 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=4F7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4F7W FirstGlance]. <br> | <table><tr><td colspan='2'>[[4f7w]] is a 8 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=4F7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4F7W FirstGlance]. <br> | ||
| - | </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=PN4:(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-[3-OXO-3-(PENTYLAMINO)PROPYL]BUTANAMIDE'>PN4</scene>, <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1Å</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=PN4:(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-[3-OXO-3-(PENTYLAMINO)PROPYL]BUTANAMIDE'>PN4</scene>, <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</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=4f7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4f7w OCA], [https://pdbe.org/4f7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4f7w RCSB], [https://www.ebi.ac.uk/pdbsum/4f7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4f7w ProSAT]</span></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=4f7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4f7w OCA], [https://pdbe.org/4f7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4f7w RCSB], [https://www.ebi.ac.uk/pdbsum/4f7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4f7w ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
[https://www.uniprot.org/uniprot/COAA_KLEP3 COAA_KLEP3] | [https://www.uniprot.org/uniprot/COAA_KLEP3 COAA_KLEP3] | ||
| - | <div style="background-color:#fffaf0;"> | ||
| - | == Publication Abstract from PubMed == | ||
| - | N-substituted pantothenamides are derivatives of pantothenate, the precursor in the biosynthesis of the essential metabolic cofactor coenzyme A (CoA). These compounds are substrates of pantothenate kinase (PanK) in the first step of CoA biosynthesis and possess antimicrobial activity against various pathogenic bacteria. Here we solved the crystal structure of the Klebsiella pneumoniae PanK (KpPanK) in complex with N-pentylpantothenamide (N5-Pan) to understand the molecular basis of its antimicrobial activity. The structure reveals a polar pocket interacting with the pantothenate moiety of N5-Pan and an aromatic pocket loosely protecting the pentyl tail, suggesting that the introduction of an aromatic ring to a new pantothenamide may enhance its binding affinity to KpPanK. To test this idea, we synthesized N-pyridin-3-ylmethylpantothenamide (Np-Pan) and solved its co-crystal structure with KpPanK. The structure reveals two alternative conformations of the aromatic ring of Np-Pan bound at the aromatic pocket, providing the basis for further improvement of pantothenamide binding to KpPanK. (c) Proteins 2013;. (c) 2013 Wiley Periodicals, Inc. | ||
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| - | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.,Li B, Tempel W, Smil D, Bolshan Y, Schapira M, Park HW Proteins. 2013 Mar 30. doi: 10.1002/prot.24290. PMID:23553820<ref>PMID:23553820</ref> | ||
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| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| - | </div> | ||
| - | <div class="pdbe-citations 4f7w" style="background-color:#fffaf0;"></div> | ||
==See Also== | ==See Also== | ||
*[[Pantothenate kinase 3D structures|Pantothenate kinase 3D structures]] | *[[Pantothenate kinase 3D structures|Pantothenate kinase 3D structures]] | ||
| - | == References == | ||
| - | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Current revision
Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide
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Categories: Klebsiella pneumoniae 342 | Large Structures | Bolshan Y | Hong BS | Li B | Park HW | Smil D | Tempel W
