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1mx9

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(New page: 200px<br /> <applet load="1mx9" size="450" color="white" frame="true" align="right" spinBox="true" caption="1mx9, resolution 2.90&Aring;" /> '''Crystal Structure o...)
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[[Image:1mx9.gif|left|200px]]<br />
 
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<applet load="1mx9" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1mx9, resolution 2.90&Aring;" />
 
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'''Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue'''<br />
 
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==Overview==
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==Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue==
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We present the first crystal structures of a human protein bound to, analogs of cocaine and heroin. Human carboxylesterase 1 (hCE1) is a, broad-spectrum bioscavenger that catalyzes the hydrolysis of heroin and, cocaine, and the detoxification of organophosphate chemical weapons, such, as sarin, soman and tabun. Crystal structures of the hCE1 glycoprotein in, complex with the cocaine analog homatropine and the heroin analog naloxone, provide explicit details about narcotic metabolism in humans. The hCE1, active site contains both specific and promiscuous compartments, which, enable the enzyme to act on structurally distinct chemicals. A selective, surface ligand-binding site regulates the trimer-hexamer equilibrium of, hCE1 and allows each hCE1 monomer to bind two narcotic molecules, simultaneously. The bioscavenger properties of hCE1 can likely be used to, treat both narcotic overdose and chemical weapon exposure.
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<StructureSection load='1mx9' size='340' side='right'caption='[[1mx9]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1mx9]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MX9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MX9 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]] 2.9&#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=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NLX:(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM'>NLX</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=1mx9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mx9 OCA], [https://pdbe.org/1mx9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mx9 RCSB], [https://www.ebi.ac.uk/pdbsum/1mx9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mx9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/EST1_HUMAN EST1_HUMAN] Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.<ref>PMID:7980644</ref> <ref>PMID:9169443</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/mx/1mx9_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=1mx9 ConSurf].
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<div style="clear:both"></div>
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==Disease==
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==See Also==
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Known disease associated with this structure: Monocyte carboxylesterase deficiency (1) OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=114835 114835]]
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*[[Carboxylesterase 3D structures|Carboxylesterase 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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1MX9 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NAG and NLX as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Carboxylesterase Carboxylesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.1 3.1.1.1] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1MX9 OCA].
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__TOC__
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</StructureSection>
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==Reference==
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Structural basis of heroin and cocaine metabolism by a promiscuous human drug-processing enzyme., Bencharit S, Morton CL, Xue Y, Potter PM, Redinbo MR, Nat Struct Biol. 2003 May;10(5):349-56. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12679808 12679808]
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[[Category: Carboxylesterase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Bencharit, S.]]
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[[Category: Bencharit S]]
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[[Category: Morton, C.L.]]
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[[Category: Morton CL]]
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[[Category: Potter, P.M.]]
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[[Category: Potter PM]]
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[[Category: Redinbo, M.R.]]
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[[Category: Redinbo MR]]
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[[Category: Xue, Y.]]
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[[Category: Xue Y]]
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[[Category: NAG]]
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[[Category: NLX]]
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[[Category: esterase]]
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[[Category: heroin]]
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[[Category: hydrolase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 18:15:56 2007''
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Current revision

Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue

PDB ID 1mx9

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