6pny: Difference between revisions

Latest revision as of 07:32, 11 October 2023

X-ray Structure of Flpp3

Structural highlights

6pny is a 1 chain structure with sequence from Francisella tularensis subsp. tularensis SCHU S4. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.65Å
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q5NF33_FRATT

Publication Abstract from PubMed

Francisella tularensis is the causative agent for the potentially fatal disease tularemia. The lipoprotein Flpp3 has been identified as a virulence determinant of tularemia with no sequence homology outside the Francisella genus. We report a room temperature structure of Flpp3 determined by serial femtosecond crystallography that exists in a significantly different conformation than previously described by the NMR-determined structure. Furthermore, we investigated the conformational space and energy barriers between these two structures by molecular dynamics umbrella sampling and identified three low-energy intermediate states, transitions between which readily occur at room temperature. We have also begun to investigate organic compounds in silico that may act as inhibitors to Flpp3. This work paves the road to developing targeted therapeutics against tularemia and aides in our understanding of the disease mechanisms of tularemia.

XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.,Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, Basu S, Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Galli L, Coe J, Hunter M, Liang M, Weierstall U, Nelson G, James D, Stauch B, Craciunescu F, Thifault D, Liu W, Cherezov V, Singharoy A, Fromme P Structure. 2020 Feb 28. pii: S0969-2126(20)30046-0. doi:, 10.1016/j.str.2020.02.005. PMID:32142641^[1]

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

References

↑ Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, Basu S, Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Galli L, Coe J, Hunter M, Liang M, Weierstall U, Nelson G, James D, Stauch B, Craciunescu F, Thifault D, Liu W, Cherezov V, Singharoy A, Fromme P. XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure. 2020 Feb 28. pii: S0969-2126(20)30046-0. doi:, 10.1016/j.str.2020.02.005. PMID:32142641 doi:https://dx.doi.org/10.1016/j.str.2020.02.005

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OCA

[1] Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, Basu S, Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Galli L, Coe J, Hunter M, Liang M, Weierstall U, Nelson G, James D, Stauch B, Craciunescu F, Thifault D, Liu W, Cherezov V, Singharoy A, Fromme P. XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure. 2020 Feb 28. pii: S0969-2126(20)30046-0. doi:, 10.1016/j.str.2020.02.005. PMID:32142641 doi:https://dx.doi.org/10.1016/j.str.2020.02.005

[1]

@@ Line 3: / Line 3: @@
 <StructureSection load='6pny' size='340' side='right'caption='[[6pny]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6pny]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Fratt Fratt]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6PNY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6PNY FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6pny]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Francisella_tularensis_subsp._tularensis_SCHU_S4 Francisella tularensis subsp. tularensis SCHU S4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6PNY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6PNY FirstGlance]. <br>
-</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2mu4|2mu4]]</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]] 1.65&#8491;</td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BZ14_1359 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=177416 FRATT])</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=6pny FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pny OCA], [https://pdbe.org/6pny PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6pny RCSB], [https://www.ebi.ac.uk/pdbsum/6pny PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6pny ProSAT]</span></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6pny FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pny OCA], [http://pdbe.org/6pny PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6pny RCSB], [http://www.ebi.ac.uk/pdbsum/6pny PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6pny ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q5NF33_FRATT Q5NF33_FRATT]
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 21: / Line 22: @@
 __TOC__
 </StructureSection>
-[[Category: Fratt]]
+[[Category: Francisella tularensis subsp. tularensis SCHU S4]]
 [[Category: Large Structures]]
-[[Category: Barty, A]]
+[[Category: Barty A]]
-[[Category: Basu, S]]
+[[Category: Basu S]]
-[[Category: Batyuk, A]]
+[[Category: Batyuk A]]
-[[Category: Cherezov, V]]
+[[Category: Cherezov V]]
-[[Category: Coe, J]]
+[[Category: Coe J]]
-[[Category: Conrad, C]]
+[[Category: Conrad C]]
-[[Category: Craciunescu, F]]
+[[Category: Craciunescu F]]
-[[Category: Fromme, P]]
+[[Category: Fromme P]]
-[[Category: Galli, L]]
+[[Category: Galli L]]
-[[Category: Gati, C]]
+[[Category: Gati C]]
-[[Category: Grant, T D]]
+[[Category: Grant TD]]
-[[Category: Gupta, C]]
+[[Category: Gupta C]]
-[[Category: Hansen, D T]]
+[[Category: Hansen DT]]
-[[Category: Hunter, M]]
+[[Category: Hunter M]]
-[[Category: Ishchenko, A]]
+[[Category: Ishchenko A]]
-[[Category: James, D]]
+[[Category: James D]]
-[[Category: Li, C]]
+[[Category: Li C]]
-[[Category: Liang, M]]
+[[Category: Liang M]]
-[[Category: Liu, W]]
+[[Category: Liu W]]
-[[Category: Nelson, G]]
+[[Category: Nelson G]]
-[[Category: Shekhar, M]]
+[[Category: Shekhar M]]
-[[Category: Singharoy, A]]
+[[Category: Singharoy A]]
-[[Category: Stauch, B]]
+[[Category: Stauch B]]
-[[Category: Thifault, D]]
+[[Category: Thifault D]]
-[[Category: Weierstall, U]]
+[[Category: Weierstall U]]
-[[Category: White, T]]
+[[Category: White T]]
-[[Category: Zatsepin, N A]]
+[[Category: Zatsepin NA]]
-[[Category: Zhao, Y]]
+[[Category: Zhao Y]]
-[[Category: Zook, J D]]
+[[Category: Zook JD]]
-[[Category: Allergen]]
-[[Category: Lipoprotein]]
-[[Category: Virulence determinant]]

6pny: Difference between revisions

Latest revision as of 07:32, 11 October 2023

X-ray Structure of Flpp3

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

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