4oxx: Difference between revisions
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The | ==Crystal Structure of Cindoxin, Surface Entropy reduction Mutant== | ||
<StructureSection load='4oxx' size='340' side='right'caption='[[4oxx]], [[Resolution|resolution]] 1.21Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4oxx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Citrobacter_braakii Citrobacter braakii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OXX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4OXX FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.21Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></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=4oxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oxx OCA], [https://pdbe.org/4oxx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4oxx RCSB], [https://www.ebi.ac.uk/pdbsum/4oxx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4oxx ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/CINC_CITBR CINC_CITBR] Involved in the degradation of cineol (eucalyptol). The FMN protein, cindoxin, shuttles electrons between the FAD-containing cindoxin reductase (CinB) and 1,8-cineole 2-endo-monooxygenase (CinA).<ref>PMID:17606612</ref> <ref>PMID:20419722</ref> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The crystal structure of the flavin mononucleotide (FMN)-containing redox partner to P450cin, cindoxin (Cdx), has been determined to 1.3 A resolution. The overall structure is similar to that of the FMN domain of human cytochrome P450 reductase. A Brownian dynamics-molecular dynamics docking method was used to produce a model of Cdx with its redox partner, P450cin. This Cdx-P450cin model highlights the potential importance of Cdx Tyr96 in bridging the FMN and heme cofactors as well P450cin Arg102 and Arg346. Each of the single-site Ala mutants exhibits approximately 10% of the wild-type activity, thus demonstrating the importance of these residues for binding and/or electron transfer. In the well-studied P450cam system, redox partner binding stabilizes the open low-spin conformation of P450cam and greatly decreases the stability of the oxy complex. In sharp contrast, Cdx does not shift P450cin to a low-spin state, although the stability of oxy-P450cin is decreased 10-fold in the presence of Cdx. This indicates that Cdx may have a modest effect on the open-closed equilibrium in P450cin compared to that in P450cam. It has been postulated that part of the effector role of Pdx on P450cam is to promote a significant structural change that makes available a proton relay network involving Asp251 required for O2 activation. The structure around the corresponding Asp in P450cin, Asp241, provides a possible structural reason for why P450cin is less dependent on its redox partner for functionally important structural changes. | |||
Crystal structure of cindoxin, the p450cin redox partner.,Madrona Y, Hollingsworth SA, Tripathi S, Fields JB, Rwigema JC, Tobias DJ, Poulos TL Biochemistry. 2014 Mar 11;53(9):1435-46. doi: 10.1021/bi500010m. Epub 2014 Feb, 25. PMID:24533927<ref>PMID:24533927</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4oxx" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Citrobacter braakii]] | |||
[[Category: Large Structures]] | |||
[[Category: Madrona Y]] | |||
[[Category: Poulos TL]] | |||