4f6x: Difference between revisions

From Proteopedia
Jump to navigation Jump to search
← Older edit
No edit summary
No edit summary
 
Line 4: Line 4:
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4f6x]] is a 1 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=4F6X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4F6X FirstGlance]. <br>
<table><tr><td colspan='2'>[[4f6x]] is a 1 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=4F6X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4F6X FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>, <scene name='pdbligand=ZYL:1-[3-(HEXYLOXY)BENZYL]-4-HYDROXY-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC+ACID'>ZYL</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]] 1.98&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>, <scene name='pdbligand=ZYL:1-[3-(HEXYLOXY)BENZYL]-4-HYDROXY-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC+ACID'>ZYL</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=4f6x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4f6x OCA], [https://pdbe.org/4f6x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4f6x RCSB], [https://www.ebi.ac.uk/pdbsum/4f6x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4f6x 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=4f6x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4f6x OCA], [https://pdbe.org/4f6x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4f6x RCSB], [https://www.ebi.ac.uk/pdbsum/4f6x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4f6x ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[https://www.uniprot.org/uniprot/CRTM_STAAU CRTM_STAAU]  
[https://www.uniprot.org/uniprot/CRTM_STAAU CRTM_STAAU]  
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We report the discovery of antibacterial leads, keto- and diketo-acids, targeting two prenyl transferases: undecaprenyl diphosphate synthase (UPPS) and dehydrosqualene synthase (CrtM). The leads were suggested by the observation that keto- and diketo-acids bind to the active site Mg(2+)/Asp domain in HIV-1 integrase, and similar domains are present in prenyl transferases. We report the x-ray crystallographic structures of one diketo-acid and one keto-acid bound to CrtM, which supports the Mg(2+) binding hypothesis, together with the x-ray structure of one diketo-acid bound to UPPS. In all cases, the inhibitors bind to a farnesyl diphosphate substrate-binding site. Compound 45 had cell growth inhibition MIC(90) values of ~250-500 ng/mL against S. aureus, 500 ng/mL against Bacillus anthracis, 4 mug/mL against Listeria monocytogenes and Enterococcus faecium, and 1 mug/mL against Streptococcus pyogenes M1, but very little activity against E. coli (DH5alpha, K12) or human cell lines.
HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.,Zhang Y, Fu-Yang Lin, Li K, Zhu W, Liu YL, Cao R, Pang R, Lee E, Axelson J, Hensler M, Wang K, Molohon KJ, Wang Y, Mitchell DA, Nizet V, Oldfield E ACS Med Chem Lett. 2012 Apr 3;3(5):402-406. PMID:22662288<ref>PMID:22662288</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4f6x" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Squalene synthase|Squalene synthase]]
*[[Squalene synthase|Squalene synthase]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>

Latest revision as of 18:17, 14 March 2024

Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112

Structural highlights

4f6x is a 1 chain structure with sequence from Staphylococcus aureus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.98Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CRTM_STAAU

See Also

4f6x, resolution 1.98Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA
Retrieved from "https://proteopedia.openfox.io/wiki/index.php?title=4f6x&oldid=4100603"