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1sp4

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(New page: 200px<br /><applet load="1sp4" size="450" color="white" frame="true" align="right" spinBox="true" caption="1sp4, resolution 2.20&Aring;" /> '''Crystal structure of...)
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[[Image:1sp4.jpg|left|200px]]<br /><applet load="1sp4" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1sp4, resolution 2.20&Aring;" />
 
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'''Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft'''<br />
 
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==Overview==
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==Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft==
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The crystal structure of the inhibitor NS-134 in complex with bovine, cathepsin B reveals that functional groups attached to both sides of the, epoxysuccinyl reactive group bind to the part of active-site cleft as, predicted. The -Leu-Pro-OH side binds to the primed binding sites, interacting with the His110 and His111 residues with its C-terminal, carboxy group, whereas the -Leu-Gly-Meu (-Leu-Gly-Gly-OMe) part (Meu, methoxycarbonylmethyl) binds along the non-primed binding sites., Comparison with the propeptide structures of cathepsins revealed that the, binding of the latter part is least similar to the procathepsin B, structure; this result, together with the two-residue shift in positioning, of the Leu-Gly-Gly part, suggests that the propeptide structures of the, cognate enzymes may not be the best starting point for the design of, reverse binding inhibitors.
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<StructureSection load='1sp4' size='340' side='right'caption='[[1sp4]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1sp4]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SP4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SP4 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]] 2.2&#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=EP2:METHYL+N-[(2S)-4-{[(1S)-1-{[(2S)-2-CARBOXYPYRROLIDIN-1-YL]CARBONYL}-3-METHYLBUTYL]AMINO}-2-HYDROXY-4-OXOBUTANOYL]-L-LEUCYLGLYCYLGLYCINATE'>EP2</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=1sp4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sp4 OCA], [https://pdbe.org/1sp4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1sp4 RCSB], [https://www.ebi.ac.uk/pdbsum/1sp4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1sp4 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CATB_BOVIN CATB_BOVIN] Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Has also been implicated in tumor invasion and metastasis.
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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/sp/1sp4_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=1sp4 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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1SP4 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with EPO, LEU and PRO as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Cathepsin_B Cathepsin B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.1 3.4.22.1] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1SP4 OCA].
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*[[Cathepsin 3D structures|Cathepsin 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft., Stern I, Schaschke N, Moroder L, Turk D, Biochem J. 2004 Jul 15;381(Pt 2):511-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15084146 15084146]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Cathepsin B]]
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[[Category: Large Structures]]
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[[Category: Protein complex]]
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[[Category: Moroder L]]
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[[Category: Moroder, L.]]
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[[Category: Schaschke N]]
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[[Category: Schaschke, N.]]
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[[Category: Stern I]]
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[[Category: Stern, I.]]
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[[Category: Turk D]]
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[[Category: Turk, D.]]
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[[Category: EPO]]
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[[Category: LEU]]
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[[Category: PRO]]
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[[Category: cathepsin b]]
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[[Category: epoxysuccinyl-based inhibitors]]
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[[Category: inhibitor design]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 02:32:24 2007''
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Current revision

Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft

PDB ID 1sp4

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