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6rbw

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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative

Structural highlights

6rbw is a 1 chain structure with sequence from Lismo. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
Gene:	nadK1, lmo0968 (LISMO)
Activity:	NAD(+) kinase, with EC number 2.7.1.23
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[NADK1_LISMO] Involved in the regulation of the intracellular balance of NAD and NADP, and is a key enzyme in the biosynthesis of NADP. Catalyzes specifically the phosphorylation on 2'-hydroxyl of the adenosine moiety of NAD to yield NADP.[HAMAP-Rule:MF_00361]^[1] ^[2]

Publication Abstract from PubMed

Antibiotic resistance is a worldwide threat due to the decreasing supply of new antimicrobials. Novel targets and innovative strategies are urgently needed to generate pathbreaking drug compounds. NAD kinase (NADK) is essential for growth in most bacteria, as it supports critical metabolic pathways. Here, we report the discovery of a new class of antibacterials that targets bacterial NADK. We generated a series of small synthetic adenine derivatives to screen those harboring promising substituents in order to guide efficient fragment linking. This led to NKI1, a new lead compound inhibiting NADK that showed in vitro bactericidal activity against Staphylococcus aureus. In a murine model of infection, NKI1 restricted survival of the bacteria, including methicillin-resistant S. aureus. Collectively, these findings identify bacterial NADK as a potential drug target and NKI1 as a lead compound in the treatment of staphylococcal infections.

From Substrate to Fragments to Inhibitor Active In Vivo against Staphylococcus aureus.,Gelin M, Paoletti J, Nahori MA, Huteau V, Leseigneur C, Jouvion G, Dugue L, Clement D, Pons JL, Assairi L, Pochet S, Labesse G, Dussurget O ACS Infect Dis. 2020 Feb 14. doi: 10.1021/acsinfecdis.9b00368. PMID:32017533^[3]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Poncet-Montange G, Assairi L, Arold S, Pochet S, Labesse G. NAD kinases use substrate-assisted catalysis for specific recognition of NAD. J Biol Chem. 2007 Nov 23;282(47):33925-34. Epub 2007 Aug 8. PMID:17686780 doi:10.1074/jbc.M701394200
↑ Gelin M, Poncet-Montange G, Assairi L, Morellato L, Huteau V, Dugue L, Dussurget O, Pochet S, Labesse G. Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure. 2012 May 16. PMID:22608967 doi:10.1016/j.str.2012.03.024
↑ Gelin M, Paoletti J, Nahori MA, Huteau V, Leseigneur C, Jouvion G, Dugue L, Clement D, Pons JL, Assairi L, Pochet S, Labesse G, Dussurget O. From Substrate to Fragments to Inhibitor Active In Vivo against Staphylococcus aureus. ACS Infect Dis. 2020 Feb 14. doi: 10.1021/acsinfecdis.9b00368. PMID:32017533 doi:http://dx.doi.org/10.1021/acsinfecdis.9b00368

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/6rbw"

@@ Line 3: / Line 3: @@
 <StructureSection load='6rbw' size='340' side='right'caption='[[6rbw]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6rbw]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RBW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RBW FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6rbw]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lismo Lismo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RBW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RBW FirstGlance]. <br>
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=JXB:9-(4-azidobutyl)-8-bromanyl-purin-6-amine'>JXB</scene></td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">nadK1, lmo0968 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=169963 LISMO])</td></tr>
 <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_kinase NAD(+) kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.23 2.7.1.23] </span></td></tr>
 <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=6rbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rbw OCA], [http://pdbe.org/6rbw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rbw RCSB], [http://www.ebi.ac.uk/pdbsum/6rbw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rbw ProSAT]</span></td></tr>
@@ Line 24: / Line 25: @@
 </StructureSection>
 [[Category: Large Structures]]
+[[Category: Lismo]]
 [[Category: Gelin, M]]
 [[Category: Labesse, G]]
 [[Category: Tetrameric nad kinase]]
 [[Category: Transferase]]

6rbw

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Current revision

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative

Structural highlights

Function

Publication Abstract from PubMed

References

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