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1t0w

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(New page: 200px<br /><applet load="1t0w" size="450" color="white" frame="true" align="right" spinBox="true" caption="1t0w" /> '''25 NMR structures of Truncated Hevein of 32 ...)
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[[Image:1t0w.gif|left|200px]]<br /><applet load="1t0w" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1t0w" />
 
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'''25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina'''<br />
 
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==Overview==
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==25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina==
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HEV32, a 32-residue, truncated hevein lacking eleven C-terminal amino, acids, was synthesized by solid-phase methodology and correctly folded, with three cysteine bridge pairs. The affinities of HEV32 for small chitin, fragments--in the forms of N,N',N"-triacetylchitotriose ((GlcNAc)3), (millimolar) and N,N',N",N"',N"",N""'-hexaacetylchitohexaose ((GlcNAc)6), (micromolar)--as measured by NMR and fluorescence methods, are comparable, with those of native hevein. The HEV32 ligand-binding process is enthalpy, driven, while entropy opposes binding. The NMR structure of ligand-bound, HEV32 in aqueous solution was determined to be highly similar to the NMR, structure of ligand-bound hevein. Solvated molecular-dynamics simulations, were performed in order to monitor the changes in side-chain conformation, of the binding site of HEV32 and hevein upon interaction with ligands. The, calculations suggest that the Trp21 side-chain orientation of HEV32 in the, free form differs from that in the bound state; this agrees with, fluorescence and thermodynamic data. HEV32 provides a simple molecular, model for studying protein-carbohydrate interactions and for understanding, the physiological relevance of small native hevein domains lacking, C-terminal residues.
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<StructureSection load='1t0w' size='340' side='right'caption='[[1t0w]]' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1t0w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Hevea_brasiliensis Hevea brasiliensis]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1T0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1T0W FirstGlance]. <br>
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1T0W is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with NH2 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1T0W OCA].
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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=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=PRD_900017:triacetyl-beta-chitotriose'>PRD_900017</scene></td></tr>
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==Reference==
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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=1t0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1t0w OCA], [https://pdbe.org/1t0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1t0w RCSB], [https://www.ebi.ac.uk/pdbsum/1t0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1t0w ProSAT]</span></td></tr>
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NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides., Aboitiz N, Vila-Perello M, Groves P, Asensio JL, Andreu D, Canada FJ, Jimenez-Barbero J, Chembiochem. 2004 Sep 6;5(9):1245-55. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15368576 15368576]
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</table>
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[[Category: Single protein]]
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== Function ==
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[[Category: Aboitiz, N.]]
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[https://www.uniprot.org/uniprot/HEVE_HEVBR HEVE_HEVBR] N-acetyl-D-glucosamine / N-acetyl-D-neuraminic acid binding lectin. Can inhibit fungal growth.
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[[Category: Andreu, D.]]
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== Evolutionary Conservation ==
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[[Category: Asensio, J.L.]]
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[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: Canada, F.J.]]
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Check<jmol>
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[[Category: Groves, P.]]
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<jmolCheckbox>
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[[Category: Jimenez-Barbero, J.]]
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/t0/1t0w_consurf.spt"</scriptWhenChecked>
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[[Category: Vila-Perello, M.]]
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[Category: NH2]]
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<text>to colour the structure by Evolutionary Conservation</text>
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[[Category: alpha-helix]]
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</jmolCheckbox>
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[[Category: anti-parallel beta-sheet]]
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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=1t0w ConSurf].
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<div style="clear:both"></div>
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 02:54:19 2007''
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__TOC__
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</StructureSection>
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[[Category: Hevea brasiliensis]]
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[[Category: Large Structures]]
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[[Category: Aboitiz N]]
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[[Category: Andreu D]]
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[[Category: Asensio JL]]
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[[Category: Canada FJ]]
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[[Category: Groves P]]
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[[Category: Jimenez-Barbero J]]
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[[Category: Vila-Perello M]]

Current revision

25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina

PDB ID 1t0w

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