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1a2i

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(New page: 200px<br /><applet load="1a2i" size="450" color="white" frame="true" align="right" spinBox="true" caption="1a2i" /> '''SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS...)
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[[Image:1a2i.gif|left|200px]]<br /><applet load="1a2i" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1a2i" />
 
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'''SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES'''<br />
 
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==Overview==
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==SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES==
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Desulfovibrio vulgaris cytochrome c3 is a 14 kDa tetrahaem cytochrome that, plays a central role in energy transduction. The three-dimensional, structure of the ferrocytochrome at pH 8.5 was solved through, two-dimensional 1H-NMR. The structures were calculated using a large, amount of experimental information, which includes upper and lower, distance limits as well as dihedral angle restraints. The analysis allows, for fast-flipping aromatic residues and flexibility in the haem plane. The, structure was determined using 2289 upper and 2390 lower distance limits, 63 restricted ranges for the phi torsion angle, 88 stereospecific, assignments out of the 118 stereopairs with non-degenerate chemical shifts, (74.6%), and 115 out of the 184 nuclear Overhauser effects to, fast-flipping aromatic residues (62.5%), which were, pseudo-stereospecifically assigned to one or the other side of the ring., The calculated NMR structures are very well defined, with an average, root-mean-square deviation value relative to the mean coordinates of 0.35, A for the backbone atoms and 0.70 A for all heavy-atoms. Comparison of the, NMR structures of the ferrocytochrome at pH 8.5 with the available X-ray, structure of the ferricytochrome at pH 5.5 reveals that the general fold, of the molecule is very similar, but that there are some distinct, differences. Calculation of ring current shifts for the residues with, significantly different conformations confirms that the NMR structures, represent better its solution structure in the reduced form. Some of the, localised differences, such as a reorientation of Thr24, are thought to be, state-dependent changes that involve alterations in hydrogen bond, networks. An important rearrangement in the vicinity of the propionate, groups of haem I and involving the covalent linkage of haem II suggests, that this is the critical region for the functional cooperativities of, this protein.
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<StructureSection load='1a2i' size='340' side='right'caption='[[1a2i]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1a2i]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Desulfovibrio_vulgaris_str._Hildenborough Desulfovibrio vulgaris str. Hildenborough]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1A2I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1A2I FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=HEC:HEME+C'>HEC</scene></td></tr>
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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=1a2i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1a2i OCA], [https://pdbe.org/1a2i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1a2i RCSB], [https://www.ebi.ac.uk/pdbsum/1a2i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1a2i ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CYC3_DESVH CYC3_DESVH] Participates in sulfate respiration coupled with phosphorylation by transferring electrons from the enzyme dehydrogenase to ferredoxin.
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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/a2/1a2i_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=1a2i ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1A2I is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Desulfovibrio_vulgaris Desulfovibrio vulgaris] with HEC as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1A2I OCA].
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*[[Cytochrome C 3D structures|Cytochrome C 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Solution structure of Desulfovibrio vulgaris (Hildenborough) ferrocytochrome c3: structural basis for functional cooperativity., Messias AC, Kastrau DH, Costa HS, LeGall J, Turner DL, Santos H, Xavier AV, J Mol Biol. 1998 Aug 28;281(4):719-39. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9710542 9710542]
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[[Category: Desulfovibrio vulgaris str. Hildenborough]]
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[[Category: Desulfovibrio vulgaris]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Costa HS]]
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[[Category: Costa, H.S.]]
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[[Category: Kastrau DHK]]
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[[Category: Kastrau, D.H.K.]]
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[[Category: Legall J]]
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[[Category: Legall, J.]]
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[[Category: Messias AC]]
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[[Category: Messias, A.C.]]
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[[Category: Santos H]]
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[[Category: Santos, H.]]
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[[Category: Turner DL]]
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[[Category: Turner, D.L.]]
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[[Category: Xavier AV]]
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[[Category: Xavier, A.V.]]
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[[Category: HEC]]
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[[Category: cooperativity]]
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[[Category: electron transfer]]
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[[Category: electron transport]]
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[[Category: energy transduction]]
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[[Category: hemeprotein]]
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[[Category: redox-bohr effect]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 10:34:06 2007''
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Current revision

SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES

PDB ID 1a2i

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