3mw0: Difference between revisions

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-[[Image:3mw0.jpg|left|200px]]
-<!--
+==X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2==
-The line below this paragraph, containing "STRUCTURE_3mw0", creates the "Structure Box" on the page.
+<StructureSection load='3mw0' size='340' side='right'caption='[[3mw0]], [[Resolution|resolution]] 2.30&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'>[[3mw0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MW0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3MW0 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]] 2.3&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BHR:2-[2-[CARBOXYMETHYL-[(2-HYDROXYPHENYL)METHYL]AMINO]ETHYL-[(2,3-DIHYDROXYPHENYL)METHYL]AMINO]ETHANOIC+ACID'>BHR</scene>, <scene name='pdbligand=DTD:DITHIANE+DIOL'>DTD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></td></tr>
-{{STRUCTURE_3mw0|  PDB=3mw0  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3mw0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mw0 OCA], [https://pdbe.org/3mw0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3mw0 RCSB], [https://www.ebi.ac.uk/pdbsum/3mw0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3mw0 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/NIKA_ECOLI NIKA_ECOLI] Involved in a nickel transport system, probably represents the nickel binder.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Chemical reactions inside single crystals are quite rare because crystallinity is difficult to retain owing to atomic rearrangements. Protein crystals in general have a high solvent content. This allows for some molecular flexibility, which makes it possible to trap reaction intermediates of enzymatic reactions without disrupting the crystal lattice. A similar approach has not yet been fully implemented in the field of inorganic chemistry. Here, we have combined model chemistry and protein X-ray crystallography to study the intramolecular aromatic dihydroxylation by an arene-containing protein-bound iron complex. The bound complex was able to activate dioxygen in the presence of a reductant, leading to the formation of catechol as the sole product. The structure determination of four of the catalytic cycle intermediates and the end product showed that the hydroxylation reaction implicates an iron peroxo, generated by reductive O(2) activation, an intermediate already observed in iron monooxygenases. This strategy also provided unexpected mechanistic details such as the rearrangement of the iron coordination sphere on metal reduction.
-===X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2===
+Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex.,Cavazza C, Bochot C, Rousselot-Pailley P, Carpentier P, Cherrier MV, Martin L, Marchi-Delapierre C, Fontecilla-Camps JC, Menage S Nat Chem. 2010 Dec;2(12):1069-76. Epub 2010 Oct 10. PMID:21107372<ref>PMID:21107372</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3mw0" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_21107372}}, adds the Publication Abstract to the page
+*[[ABC transporter 3D structures|ABC transporter 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 21107372 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_21107372}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Escherichia coli K-12]]
-[[3mw0]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MW0 OCA].
+[[Category: Large Structures]]
+[[Category: Bochot C]]
-==Reference==
+[[Category: Carpentier P]]
-<ref group="xtra">PMID:21107372</ref><references group="xtra"/>
+[[Category: Cavazza C]]
-[[Category: Escherichia coli]]
+[[Category: Cherrier MV]]
-[[Category: Nickel-transporting ATPase]]
+[[Category: Fontecilla-Camps JC]]
-[[Category: Bochot, C.]]
+[[Category: Marchi-Delapierre C]]
-[[Category: Carpentier, P.]]
+[[Category: Martin L]]
-[[Category: Cavazza, C.]]
+[[Category: Menage S]]
-[[Category: Cherrier, M V.]]
+[[Category: Rousselot-Pailley P]]
-[[Category: Fontecilla-Camps, J C.]]
-[[Category: Marchi-Delapierre, C.]]
-[[Category: Martin, L.]]
-[[Category: Menage, S.]]
-[[Category: Rousselot-Pailley, P.]]