1kw3

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[[Image:1kw3.jpg|left|200px]]
 
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==Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution==
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The line below this paragraph, containing "STRUCTURE_1kw3", creates the "Structure Box" on the page.
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<StructureSection load='1kw3' size='340' side='right'caption='[[1kw3]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1kw3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_sp._KKS102 Pseudomonas sp. KKS102]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KW3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KW3 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.45&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene></td></tr>
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{{STRUCTURE_1kw3| PDB=1kw3 | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1kw3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kw3 OCA], [https://pdbe.org/1kw3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kw3 RCSB], [https://www.ebi.ac.uk/pdbsum/1kw3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kw3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BPHC_PSES1 BPHC_PSES1]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kw/1kw3_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1kw3 ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution'''
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==See Also==
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*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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BphC derived from Pseudomonas sp. strain KKS102 is an extradiol-cleaving catecholic dioxygenase. This enzyme contains a non-heme iron atom and plays an important role in degrading biphenyl/polychlorinated biphenyls (PCBs) in the microbe. To elucidate detailed structures of BphC reaction intermediates, crystal structures of the substrate-free form, the BphC-substrate complex, and the BphC-substrate-NO (nitric oxide) complex were determined. These crystal structures revealed (1) the binding site of the O(2) molecule in the coordination sphere and (2) conformational changes of His194 during the catalytic reaction. On the basis of these findings, we propose a catalytic mechanism for the extradiol-cleaving catecholic dioxygenase in which His194 seems to play three distinct roles. At the early stage of the catalytic reaction, His194 appears to act as a catalytic base, which likely deprotonates the hydroxyl group of the substrate. At the next stage, the protonated His194 seems to stabilize a negative charge on the O2 molecule located in the hydrophobic O2-binding cavity. Finally, protonated His194 seems to function as a proton donor, whose existence has been proposed.
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[[Category: Large Structures]]
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[[Category: Pseudomonas sp. KKS102]]
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==About this Structure==
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[[Category: Fukuda M]]
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1KW3 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_sp. Pseudomonas sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KW3 OCA].
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[[Category: Masai E]]
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[[Category: Nishizaki T]]
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==Reference==
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[[Category: Nonaka T]]
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Crystal structures of the reaction intermediate and its homologue of an extradiol-cleaving catecholic dioxygenase., Sato N, Uragami Y, Nishizaki T, Takahashi Y, Sazaki G, Sugimoto K, Nonaka T, Masai E, Fukuda M, Senda T, J Mol Biol. 2002 Aug 23;321(4):621-36. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12206778 12206778]
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[[Category: Sato N]]
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[[Category: Biphenyl-2,3-diol 1,2-dioxygenase]]
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[[Category: Sazaki G]]
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[[Category: Pseudomonas sp.]]
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[[Category: Senda T]]
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[[Category: Single protein]]
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[[Category: Sugimoto K]]
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[[Category: Fukuda, M.]]
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[[Category: Takahashi Y]]
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[[Category: Masai, E.]]
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[[Category: Uragami Y]]
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[[Category: Nishizaki, T.]]
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[[Category: Nonaka, T.]]
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[[Category: Sato, N.]]
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[[Category: Sazaki, G.]]
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[[Category: Senda, T.]]
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[[Category: Sugimoto, K.]]
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[[Category: Takahashi, Y.]]
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[[Category: Uragami, Y.]]
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[[Category: Four time repetitions of the beta-alpha-beta-beta-beta motif]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 23:14:15 2008''
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Current revision

Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution

PDB ID 1kw3

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