2v60: Difference between revisions

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[[Image:2v60.gif|left|200px]]<br /><applet load="2v60" size="350" color="white" frame="true" align="right" spinBox="true"
[[Image:2v60.gif|left|200px]]
caption="2v60, resolution 2.00&Aring;" />
 
'''STRUCTURE OF HUMAN MAO B IN COMPLEX WITH THE SELECTIVE INHIBITOR 7-(3-CHLOROBENZYLOXY)-4-CARBOXALDEHYDE-COUMARIN'''<br />
{{Structure
|PDB= 2v60 |SIZE=350|CAPTION= <scene name='initialview01'>2v60</scene>, resolution 2.00&Aring;
|SITE= <scene name='pdbsite=AC1:Fad+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:C17+Binding+Site+For+Chain+A'>AC2</scene>, <scene name='pdbsite=AC3:Fad+Binding+Site+For+Chain+B'>AC3</scene> and <scene name='pdbsite=AC4:C17+Binding+Site+For+Chain+B'>AC4</scene>
|LIGAND= <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=C17:7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE'>C17</scene>
|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]
|GENE=
}}
 
'''STRUCTURE OF HUMAN MAO B IN COMPLEX WITH THE SELECTIVE INHIBITOR 7-(3-CHLOROBENZYLOXY)-4-CARBOXALDEHYDE-COUMARIN'''
 


==Overview==
==Overview==
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==About this Structure==
==About this Structure==
2V60 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=C17:'>C17</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 Sites: <scene name='pdbsite=AC1:Fad+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:C17+Binding+Site+For+Chain+A'>AC2</scene>, <scene name='pdbsite=AC3:Fad+Binding+Site+For+Chain+B'>AC3</scene> and <scene name='pdbsite=AC4:C17+Binding+Site+For+Chain+B'>AC4</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V60 OCA].  
2V60 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=2V60 OCA].  


==Reference==
==Reference==
Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs., Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A, J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17915852 17915852]
Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs., Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A, J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17915852 17915852]
[[Category: Amine oxidase (flavin-containing)]]
[[Category: Amine oxidase (flavin-containing)]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
Line 36: Line 45:
[[Category: transmembrane]]
[[Category: transmembrane]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:53:20 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:43:28 2008''

Revision as of 16:43, 20 March 2008

File:2v60.gif


Drag the structure with the mouse to rotate
2v60, resolution 2.00Å
Sites: AC1, AC2, AC3 and AC4
Ligands: FAD and C17
Activity: Amine oxidase (flavin-containing), with EC number 1.4.3.4
Coordinates: save as pdb, mmCIF, xml



STRUCTURE OF HUMAN MAO B IN COMPLEX WITH THE SELECTIVE INHIBITOR 7-(3-CHLOROBENZYLOXY)-4-CARBOXALDEHYDE-COUMARIN


Overview

Structures of human monoamine oxidase B (MAO B) in complex with safinamide and two coumarin derivatives, all sharing a common benzyloxy substituent, were determined by X-ray crystallography. These compounds competitively inhibit MAO B with Ki values in the 0.1-0.5 microM range that are 30-700-fold lower than those observed with MAO A. The inhibitors bind noncovalently to MAO B, occupying both the entrance and the substrate cavities and showing a similarly oriented benzyloxy substituent.

About this Structure

2V60 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs., Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A, J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4. PMID:17915852

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