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6zb6

From Proteopedia

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Current revision

Crystal structure of Lolium rigidum GSTF in complex with S-(p-nitrobenzyl) glutathione

Structural highlights

6zb6 is a 6 chain structure with sequence from Lolium rigidum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.9Å
Ligands:	, , ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

M5BPX4_LOLRI

Publication Abstract from PubMed

Multiple-herbicide resistance (MHR) is a global threat to weed control in cereal crops. MHR weeds express a specific phi class glutathione transferase (MHR-GSTF) that confers resistance against multiple herbicides and therefore represents a promising target against MHR weeds. Kinetics inhibition analysis of MHR-GSTFs from grass weeds Lolium rigidum (LrGSTF) Alopecurus myosuroides (AmGSTF) and crops Hordeum vulgare (HvGSTF) and Triticum aestivum (TaGSTF) allowed the identification of the acetanilide herbicide butachlor as a potent and selective inhibitor towards MHR-GSTFs. Also, butachlor is a stronger inhibitor for LrGSTF and AmGSTF compared to HvGSTF and TaGSTF from crops. The crystal structure of LrGSTF was determined at 1.90 A resolution in complex with the inhibitor S-(4-nitrobenzyl)glutathione. A specific 3D pharmacophore targeting the MHR-GSTFs was designed and used to identify structural elements important for potent and selective inhibition. Structural analysis of GSTFs revealed a decisive role of conserved Tyr118 in ligand binding and pharmacophore design. Its positioning is dependent on an outer patch of adjacent residues that span from position 132 to 134 which are similar for both LrGSTF and AmGSTF but different in HvGSTF and TaGSTF. The results presented here provide new knowledge that may be adopted to cope with MHR weeds.

Phi class glutathione transferases as molecular targets towards multiple-herbicide resistance: Inhibition analysis and pharmacophore design.,Georgakis N, Poudel N, Vlachakis D, Papageorgiou AC, Labrou NE Plant Physiol Biochem. 2020 Nov 17. pii: S0981-9428(20)30569-6. doi:, 10.1016/j.plaphy.2020.11.018. PMID:33257232^[1]

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

References

↑ Georgakis N, Poudel N, Vlachakis D, Papageorgiou AC, Labrou NE. Phi class glutathione transferases as molecular targets towards multiple-herbicide resistance: Inhibition analysis and pharmacophore design. Plant Physiol Biochem. 2020 Nov 17. pii: S0981-9428(20)30569-6. doi:, 10.1016/j.plaphy.2020.11.018. PMID:33257232 doi:http://dx.doi.org/10.1016/j.plaphy.2020.11.018

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/6zb6"

Categories: Large Structures | Lolium rigidum | Papageorgiou AC | Poudel N

@@ Line 3: / Line 3: @@
 <StructureSection load='6zb6' size='340' side='right'caption='[[6zb6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6zb6]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Annual_ryegrass Annual ryegrass]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZB6 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZB6 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6zb6]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Lolium_rigidum Lolium rigidum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZB6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZB6 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=GTB:S-(P-NITROBENZYL)GLUTATHIONE'>GTB</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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]] 1.9&#8491;</td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">GST ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=89674 Annual ryegrass])</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=GTB:S-(P-NITROBENZYL)GLUTATHIONE'>GTB</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=6zb6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zb6 OCA], [http://pdbe.org/6zb6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zb6 RCSB], [http://www.ebi.ac.uk/pdbsum/6zb6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zb6 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=6zb6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zb6 OCA], [https://pdbe.org/6zb6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zb6 RCSB], [https://www.ebi.ac.uk/pdbsum/6zb6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zb6 ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/M5BPX4_LOLRI M5BPX4_LOLRI]
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 17: / Line 19: @@
 </div>
 <div class="pdbe-citations 6zb6" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Glutathione S-transferase 3D structures|Glutathione S-transferase 3D structures]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Annual ryegrass]]
 [[Category: Large Structures]]
-[[Category: Papageorgiou, A C]]
+[[Category: Lolium rigidum]]
-[[Category: Poudel, N]]
+[[Category: Papageorgiou AC]]
-[[Category: Detoxification]]
+[[Category: Poudel N]]
-[[Category: Glutathione]]
-[[Category: Herbcide resistance]]
-[[Category: Stress]]
-[[Category: Transferase]]
-[[Category: Xenobiotic]]

6zb6

From Proteopedia

Current revision

Crystal structure of Lolium rigidum GSTF in complex with S-(p-nitrobenzyl) glutathione

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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