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==Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162==
==Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162==
<StructureSection load='3tfp' size='340' side='right' caption='[[3tfp]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
<StructureSection load='3tfp' size='340' side='right'caption='[[3tfp]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3tfp]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TFP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TFP FirstGlance]. <br>
<table><tr><td colspan='2'>[[3tfp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TFP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TFP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=03L:2-({2-CHLORO-6-[(2,4-DICHLOROPHENYL)SULFANYL]BENZYL}CARBAMOYL)BENZOIC+ACID'>03L</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=03L:2-({2-CHLORO-6-[(2,4-DICHLOROPHENYL)SULFANYL]BENZYL}CARBAMOYL)BENZOIC+ACID'>03L</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">crtM ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">crtM ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</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=3tfp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tfp OCA], [http://pdbe.org/3tfp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tfp RCSB], [http://www.ebi.ac.uk/pdbsum/3tfp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3tfp 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=3tfp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tfp OCA], [https://pdbe.org/3tfp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tfp RCSB], [https://www.ebi.ac.uk/pdbsum/3tfp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tfp ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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</div>
</div>
<div class="pdbe-citations 3tfp" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 3tfp" style="background-color:#fffaf0;"></div>
==See Also==
*[[Squalene synthase|Squalene synthase]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Lin, F Y]]
[[Category: Lin, F Y]]
[[Category: Liu, Y L]]
[[Category: Liu, Y L]]

Revision as of 19:56, 6 July 2022

Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162

Structural highlights

3tfp is a 1 chain structure with sequence from "micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Gene:crtM ("Micrococcus aureus" (Rosenbach 1884) Zopf 1885)
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

Double whammy! Small molecules that inhibit Staphylococcus aureus dehydrosqualene synthase (CrtM) or host squalene synthase (SQS) are of interest as novel, innate immunity-based therapeutics, blocking virulence or stimulating antibacterial neutrophil extracellular trap (NET) formation. The discovery of leads that do both represents a new route to treating staph infections.

Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.,Lin FY, Zhang Y, Hensler M, Liu YL, Chow OA, Zhu W, Wang K, Pang R, Thienphrapa W, Nizet V, Oldfield E ChemMedChem. 2012 Apr;7(4):561-4. doi: 10.1002/cmdc.201100589. Epub 2012 Jan 30. PMID:22290830[1]

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

See Also

References

  1. ↑ Lin FY, Zhang Y, Hensler M, Liu YL, Chow OA, Zhu W, Wang K, Pang R, Thienphrapa W, Nizet V, Oldfield E. Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. ChemMedChem. 2012 Apr;7(4):561-4. doi: 10.1002/cmdc.201100589. Epub 2012 Jan 30. PMID:22290830 doi:10.1002/cmdc.201100589

3tfp, resolution 2.00Å

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