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1aec

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[[Image:1aec.gif|left|200px]]<br /><applet load="1aec" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1aec, resolution 1.86&Aring;" />
 
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'''CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+==
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E-64, 1-(L-trans-epoxysuccinylleucylamino)-4-guanidinobutane, is a potent and highly selective irreversible inhibitor of cysteine proteases. The crystal structure of a complex of actinidin and E-64 has been determined at 1.86-A resolution by using the difference Fourier method and refined to an R-factor of 14.5%. The electron density map clearly shows that the C2 atom of the E-64 epoxide ring is covalently bonded to the S atom of the active-site cysteine 25. The charged carboxyl group of E-64 forms four H-bonds with the protein and thus may play an important role in favorably positioning the inhibitor molecule for nucleophilic attack by the active-site thiolate anion. The interaction features between E-64 and actinidin are very similar to those seen in the papain-E-64 complex; however, the amino-4-guanidinobutane group orients differently. The crystals of the actinidin-E-64 complex diffracted much better than the papain-E-64 complex, and consequently the present study provides more precise geometrical information on the binding of the inhibitor. Moreover, this study provides yet another confirmation that the binding of E-64 is at the S subsites and not at the S' subsites as has been previously proposed. The original actinidin structure has been revised using the new cDNA sequence information.
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<StructureSection load='1aec' size='340' side='right'caption='[[1aec]], [[Resolution|resolution]] 1.86&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1aec]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Actinidia_chinensis Actinidia chinensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AEC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1AEC FirstGlance]. <br>
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1AEC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Actinidia_chinensis Actinidia chinensis] with <scene name='pdbligand=E64:'>E64</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Actinidain Actinidain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.14 3.4.22.14] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AEC OCA].
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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]] 1.86&#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=E64:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE'>E64</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=1aec FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1aec OCA], [https://pdbe.org/1aec PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1aec RCSB], [https://www.ebi.ac.uk/pdbsum/1aec PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1aec ProSAT]</span></td></tr>
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Crystal structure of an actinidin-E-64 complex., Varughese KI, Su Y, Cromwell D, Hasnain S, Xuong NH, Biochemistry. 1992 Jun 9;31(22):5172-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1606141 1606141]
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</table>
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[[Category: Actinidain]]
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== Function ==
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[https://www.uniprot.org/uniprot/ACTN_ACTCC ACTN_ACTCC] Cysteine protease responsible for the cleavage of kiwellin into kissper and KiTH.<ref>PMID:18442249</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/ae/1aec_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=1aec ConSurf].
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<div style="clear:both"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Actinidia chinensis]]
[[Category: Actinidia chinensis]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Varughese, K I.]]
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[[Category: Varughese KI]]
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[[Category: E64]]
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[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:43:35 2008''
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Current revision

CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+

PDB ID 1aec

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