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1h9c

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[[Image:1h9c.gif|left|200px]]<br /><applet load="1h9c" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1h9c" />
 
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'''NMR STRUCTURE OF CYSTEINYL-PHOSPHORYLATED ENZYME IIB OF THE N,N'-DIACETYLCHITOBIOSE SPECIFIC PHOSPHOENOLPYRUVATE-DEPENDENT PHOSPHOTRANSFERASE SYSTEM OF ESCHERICHIA COLI.'''<br />
 
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==Overview==
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==NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-diacetylchitobiose specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli.==
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The determination by NMR of the solution structure of the phosphorylated, enzyme IIB (P-IIB(Chb)) of the N,N'-diacetylchitobiose-specific, phosphoenolpyruvate-dependent phosphotransferase system of Escherichia, coli is presented. Most of the backbone and side-chain resonances were, assigned using a variety of mostly heteronuclear NMR experiments. The, remaining resonances were assigned with the help of the structure, calculations.NOE-derived distance restraints were used in distance, geometry calculations followed by molecular dynamics and simulated, annealing protocols. In addition, combinations of ambiguous restraints, were used to resolve ambiguities in the NOE assignments. By combining sets, of ambiguous and unambiguous restraints into new ambiguous restraints, an, error function was constructed that was less sensitive to information loss, caused by assignment uncertainties. The final set of structures had a, pairwise rmsd of 0.59 A and 1.16 A for the heavy atoms of the backbone and, side-chains, respectively.Comparing the P-IIB(Chb) solution structure with, the previously determined NMR and X-ray structures of the wild-type and, the Cys10Ser mutant shows that significant differences between the, structures are limited to the active-site region. The phosphoryl group at, the active-site cysteine residue is surrounded by a loop formed by, residues 10 through 16. NOE and chemical shift data suggest that the, phosphoryl group makes hydrogen bonds with the backbone amide protons of, residues 12 and 15. The binding mode of the phosphoryl group is very, similar to that of the protein tyrosine phosphatases. The differences, observed are in accordance with the presumption that IIB(Chb) has to be, more resistant to hydrolysis than the protein tyrosine phosphatases. We, propose a proton relay network by which a transfer occurs between the, cysteine SH proton and the solvent via the hydroxyl group of Thr16.
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<StructureSection load='1h9c' size='340' side='right'caption='[[1h9c]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1h9c]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_str._K-12_substr._W3110 Escherichia coli str. K-12 substr. W3110]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H9C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H9C 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=CSP:S-PHOSPHOCYSTEINE'>CSP</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=1h9c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h9c OCA], [https://pdbe.org/1h9c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h9c RCSB], [https://www.ebi.ac.uk/pdbsum/1h9c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h9c ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PTQB_ECOLI PTQB_ECOLI] The phosphoenolpyruvate-dependent sugar phosphotransferase system (sugar PTS), a major carbohydrate active -transport system, catalyzes the phosphorylation of incoming sugar substrates concomitantly with their translocation across the cell membrane. This system is involved in N,N'-diacetylchitobiose transport.<ref>PMID:10913117</ref>
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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/h9/1h9c_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=1h9c 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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1H9C is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Active as [http://en.wikipedia.org/wiki/Protein-N(pi)-phosphohistidine--sugar_phosphotransferase Protein-N(pi)-phosphohistidine--sugar phosphotransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.69 2.7.1.69] Known structural/functional Sites: <scene name='pdbsite=PBL:Phoshorylgroup Binding Loop'>PBL</scene> and <scene name='pdbsite=PBS:Phosphorylation Site'>PBS</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1H9C OCA].
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*[[Phosphotransferase 3D structures|Phosphotransferase 3D structures]]
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== References ==
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==Reference==
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<references/>
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NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-diacetylchitobiose-specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli., Ab E, Schuurman-Wolters GK, Nijlant D, Dijkstra K, Saier MH, Robillard GT, Scheek RM, J Mol Biol. 2001 May 18;308(5):993-1009. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11352587 11352587]
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__TOC__
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[[Category: Escherichia coli]]
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</StructureSection>
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[[Category: Protein-N(pi)-phosphohistidine--sugar phosphotransferase]]
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[[Category: Escherichia coli str. K-12 substr. W3110]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Ab, E.]]
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[[Category: Ab E]]
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[[Category: Dijkstra, K.]]
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[[Category: Dijkstra K]]
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[[Category: Nijlant, D.]]
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[[Category: Nijlant D]]
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[[Category: Robillard, G.T.]]
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[[Category: Robillard GT]]
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[[Category: Saier, M.H.]]
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[[Category: Saier MH]]
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[[Category: Scheek, R.M.]]
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[[Category: Scheek RM]]
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[[Category: Schuurman-Wolters, G.]]
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[[Category: Schuurman-Wolters GK]]
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[[Category: enzyme iib-chitobiose]]
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[[Category: iib-cellobiose]]
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[[Category: phosphorylation]]
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[[Category: phosphotransferase system]]
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[[Category: sugar transport]]
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[[Category: transferase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 16:09:18 2007''
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Current revision

NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-diacetylchitobiose specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli.

PDB ID 1h9c

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