3esd: Difference between revisions

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-[[Image:3esd.png|left|200px]]
-<!--
+==cut-2b; NCN-Pt-Pincer-Cutinase Hybrid==
-The line below this paragraph, containing "STRUCTURE_3esd", creates the "Structure Box" on the page.
+<StructureSection load='3esd' size='340' side='right'caption='[[3esd]], [[Resolution|resolution]] 1.22&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[3esd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Fusarium_vanettenii Fusarium vanettenii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ESD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ESD FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.22&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SXC:BROMO(4-{3-[(R)-ETHOXY(4-NITROPHENOXY)PHOSPHORYL]PROPYL}-2,6-BIS[(METHYLSULFANYL-KAPPAS)METHYL]PHENYL-KAPPAC~1~)PALLADIUM(2+)'>SXC</scene></td></tr>
-{{STRUCTURE_3esd|  PDB=3esd  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3esd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3esd OCA], [https://pdbe.org/3esd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3esd RCSB], [https://www.ebi.ac.uk/pdbsum/3esd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3esd ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/CUTI1_FUSVN CUTI1_FUSVN] Catalyzes the hydrolysis of complex carboxylic polyesters found in the cell wall of plants (PubMed:18658138, PubMed:19810726, PubMed:8286366, PubMed:8555209). Degrades cutin, a macromolecule that forms the structure of the plant cuticle (PubMed:18658138, PubMed:19810726, PubMed:8286366, PubMed:8555209). Allows pathogenic fungi to penetrate through the cuticular barrier into the host plant during the initial stage of fungal infection (Ref.4).<ref>PMID:18658138</ref> <ref>PMID:19810726</ref> <ref>PMID:8286366</ref> <ref>PMID:8555209</ref> [PROSITE-ProRule:PRU10109]
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/es/3esd_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3esd ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The first crystal structures of lipases that have been covalently modified through site-selective inhibition by different organometallic phosphonate-pincer-metal complexes are described. Two ECE-pincer-type d(8)-metal complexes, that is, platinum (1) or palladium (2) with phosphonate esters (ECE = [(EtO)-(O=)P(-O-C(6)H(4)-(NO(2))-4)(-C(3)H(6)-4-(C(6)H(2)-(CH(2)E)(2))](-) ; E = NMe(2) or SMe) were introduced prior to crystallization and have been shown to bind selectively to the Ser(120) residue in the active site of the lipase cutinase to give cut-1 (platinum) or cut-2 (palladium) hybrids. For all five presented crystal structures, the ECE-pincer-platinum or -palladium head group sticks out of the cutinase molecule and is exposed to the solvent. Depending on the nature of the ECE-pincer-metal head group, the ECE-pincer-platinum and -palladium guests occupy different pockets in the active site of cutinase, with concomitant different stereochemistries on the phosphorous atom for the cut-1 (S(P)) and cut-2 (R(P)) structures. When cut-1 was crystallized under halide-poor conditions, a novel metal-induced dimeric structure was formed between two cutinase-bound pincer-platinum head groups, which are interconnected through a single mu-Cl bridge. This halide-bridged metal dimer shows that coordination chemistry is possible with protein-modified pincer-metal complexes. Furthermore, we could use NCN-pincer-platinum complex 1 as site-selective tool for the phasing of raw protein diffraction data, which shows the potential use of pincer-platinum complex 1 as a heavy-atom derivative in protein crystallography.
-===cut-2b; NCN-Pt-Pincer-Cutinase Hybrid===
+Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids.,Rutten L, Wieczorek B, Mannie JP, Kruithof CA, Dijkstra HP, Egmond MR, Lutz M, Klein Gebbink RJ, Gros P, van Koten G Chemistry. 2009;15(17):4270-80. PMID:19219875<ref>PMID:19219875</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3esd" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_19219875}}, adds the Publication Abstract to the page
+*[[Cutinase 3D structures|Cutinase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 19219875 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_19219875}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Fusarium vanettenii]]
-[[3esd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Nectria_haematococca_mpvi Nectria haematococca mpvi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ESD OCA].
+[[Category: Large Structures]]
+[[Category: Gros P]]
-==Reference==
+[[Category: Lutz M]]
-<ref group="xtra">PMID:019219875</ref><references group="xtra"/>
+[[Category: Mannie JPBA]]
-[[Category: Cutinase]]
+[[Category: Rutten L]]
-[[Category: Nectria haematococca mpvi]]
-[[Category: Gros, P.]]
-[[Category: Lutz, M.]]
-[[Category: Mannie, J P.B A.]]
-[[Category: Rutten, L.]]
-[[Category: Glycoprotein]]
-[[Category: Hydrolase]]
-[[Category: Protein-metallopincer complex]]
-[[Category: Secreted]]
-[[Category: Serine esterase]]