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1nat

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[[Image:1nat.gif|left|200px]]<br /><applet load="1nat" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1nat, resolution 2.45&Aring;" />
 
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'''CRYSTAL STRUCTURE OF SPOOF FROM BACILLUS SUBTILIS'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF SPOOF FROM BACILLUS SUBTILIS==
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Spo0F is a secondary messenger in the "two-component" system controlling the sporulation of Bacillus subtilis. Spo0F, like the chemotaxis protein CheY, is a single-domain protein homologous to the N-terminal activator domain of the response regulators. We recently reported the crystal structure of a phosphatase-resistant mutant Y13S of Spo0F with Ca2+ bound in the active site. The crystal structure of wild-type Spo0F in the absence of a metal ion is presented here. A comparison of the two structures reveals that the cation induces significant changes in the active site. In the present wild-type structure, the carboxylate of Asp11 points away from the center of the active site, whereas when coordinated to the Ca2+, as in the earlier structure, it points toward the active site. In addition, Asp54, the site of phosphorylation, is blocked by a salt bridge interaction of an Arg side chain from a neighboring molecule. From fluorescence quenching studies with Spo0F Y13W, we found that only the amino acid Arg binds to Spo0F in a saturable manner (Kd = 15 mM). This observation suggests that a small molecule with a shape complementary to the active site and having a guanidinium group might inhibit phosphotransfer between response regulators and their cognate histidine kinases.
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<StructureSection load='1nat' size='340' side='right'caption='[[1nat]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1nat]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NAT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NAT 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">X-ray diffraction, [[Resolution|Resolution]] 2.45&#8491;</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=1nat FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nat OCA], [https://pdbe.org/1nat PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nat RCSB], [https://www.ebi.ac.uk/pdbsum/1nat PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nat ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/SP0F_BACSU SP0F_BACSU] Key element in the phosphorelay regulating sporulation initiation. Phosphorylation of spo0B during sporulation initiation.
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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/na/1nat_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=1nat 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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1NAT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NAT OCA].
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*[[Phosphotransferase 3D structures|Phosphotransferase 3D structures]]
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*[[Response regulator 3D structure|Response regulator 3D structure]]
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==Reference==
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__TOC__
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A response regulatory protein with the site of phosphorylation blocked by an arginine interaction: crystal structure of Spo0F from Bacillus subtilis., Madhusudan M, Zapf J, Hoch JA, Whiteley JM, Xuong NH, Varughese KI, Biochemistry. 1997 Oct 21;36(42):12739-45. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9335530 9335530]
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</StructureSection>
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Hoch, J A.]]
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[[Category: Hoch JA]]
[[Category: Madhusudan]]
[[Category: Madhusudan]]
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[[Category: Varughese, K I.]]
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[[Category: Varughese KI]]
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[[Category: Whiteley, J M.]]
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[[Category: Whiteley JM]]
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[[Category: Xuong, N H.]]
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[[Category: Xuong NH]]
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[[Category: Zapf, J.]]
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[[Category: Zapf J]]
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[[Category: aspartate pocket]]
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[[Category: regulatory protein]]
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[[Category: sporulation response regulator]]
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[[Category: two component system]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:04:03 2008''
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Current revision

CRYSTAL STRUCTURE OF SPOOF FROM BACILLUS SUBTILIS

PDB ID 1nat

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