2c67

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[[Image:2c67.gif|left|200px]]<br /><applet load="2c67" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2c67.gif|left|200px]]
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caption="2c67, resolution 1.70&Aring;" />
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'''MAO INHIBITION BY RASAGILINE ANALOGUES'''<br />
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{{Structure
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|PDB= 2c67 |SIZE=350|CAPTION= <scene name='initialview01'>2c67</scene>, resolution 1.70&Aring;
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|SITE= <scene name='pdbsite=AC1:Rm1+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=RM1:N-METHYL-1(R)-AMINOINDAN'>RM1</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Amine_oxidase_(flavin-containing) Amine oxidase (flavin-containing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.3.4 1.4.3.4]
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|GENE=
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}}
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'''MAO INHIBITION BY RASAGILINE ANALOGUES'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2C67 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=FAD:'>FAD</scene> and <scene name='pdbligand=RM1:'>RM1</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Amine_oxidase_(flavin-containing) Amine oxidase (flavin-containing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.3.4 1.4.3.4] Known structural/functional Site: <scene name='pdbsite=AC1:Rm1+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C67 OCA].
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2C67 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=2C67 OCA].
==Reference==
==Reference==
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Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis., Binda C, Hubalek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A, J Med Chem. 2005 Dec 29;48(26):8148-54. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16366596 16366596]
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Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis., Binda C, Hubalek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A, J Med Chem. 2005 Dec 29;48(26):8148-54. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16366596 16366596]
[[Category: Amine oxidase (flavin-containing)]]
[[Category: Amine oxidase (flavin-containing)]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: transmembrane]]
[[Category: transmembrane]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:45:18 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:11:22 2008''

Revision as of 14:11, 20 March 2008

Image:2c67.gif


PDB ID 2c67

Drag the structure with the mouse to rotate
, resolution 1.70Å
Sites:
Ligands: and
Activity: Amine oxidase (flavin-containing), with EC number 1.4.3.4
Coordinates: save as pdb, mmCIF, xml



MAO INHIBITION BY RASAGILINE ANALOGUES


Overview

Monoamine oxidases A and B (MAO A and B) catalyze the degradation of neurotransmitters and represent drug targets for the treatment of neurodegenerative disorders. Rasagiline is an irreversible, MAO B-selective inhibitor that has been approved as a novel anti-Parkinson's drug. In this study, we investigate the inhibition of recombinant human MAO A and MAO B by several rasagiline analogues. Different substituents added onto the rasagiline scaffold alter the binding affinity depending on the position on the aminoindan ring and on the size of the substituent. Compounds with a hydroxyl group on either the C4 or the C6 atom inhibit both isozymes, whereas a bulkier substituent such as a carbamate is tolerated only at the C4 position. The 1.7 A crystal structure of MAO B in complex with 4-(N-methyl-N-ethyl-carbamoyloxy)-N-methyl-N-propargyl-1(R)-aminoindan shows that the binding mode is similar to that of rasagiline with the carbamate moiety occupying the entrance cavity space. 1(R)-Aminoindan, the major metabolic product of rasagiline, and its analogues reversibly inhibit both MAO A and MAO B. The crystal structure of N-methyl-1(R)-aminoindan bound to MAO B shows that its aminoindan ring adopts a different orientation compared to that of rasagiline.

About this Structure

2C67 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis., Binda C, Hubalek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A, J Med Chem. 2005 Dec 29;48(26):8148-54. PMID:16366596

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