1mx5

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[[Image:1mx5.gif|left|200px]]<br /><applet load="1mx5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1mx5.gif|left|200px]]
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caption="1mx5, resolution 2.80&Aring;" />
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'''Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue'''<br />
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{{Structure
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|PDB= 1mx5 |SIZE=350|CAPTION= <scene name='initialview01'>1mx5</scene>, resolution 2.80&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=SIA:O-SIALIC+ACID'>SIA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene> and <scene name='pdbligand=HTQ:HOMOTROPINE'>HTQ</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1MX5 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 <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=NDG:'>NDG</scene>, <scene name='pdbligand=SIA:'>SIA</scene>, <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=HTQ:'>HTQ</scene> 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://oca.weizmann.ac.il/oca-bin/ocashort?id=1MX5 OCA].
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1MX5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MX5 OCA].
==Reference==
==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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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://www.ncbi.nlm.nih.gov/pubmed/12679808 12679808]
[[Category: Carboxylesterase]]
[[Category: Carboxylesterase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: hydrolase]]
[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:59:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:49:20 2008''

Revision as of 10:49, 20 March 2008

Image:1mx5.gif


PDB ID 1mx5

Drag the structure with the mouse to rotate
, resolution 2.80Å
Ligands: , , , and
Activity: Carboxylesterase, with EC number 3.1.1.1
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue


Contents

Overview

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.

Disease

Known disease associated with this structure: Monocyte carboxylesterase deficiency (1) OMIM:[114835]

About this Structure

1MX5 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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:12679808

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