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| {{STRUCTURE_1s3b| PDB=1s3b | SCENE= }} | | {{STRUCTURE_1s3b| PDB=1s3b | SCENE= }} |
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| '''Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan'''
| | ===Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan=== |
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| ==Overview==
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| Monoamine oxidase B (MAO B) is an outer mitochondrial membrane enzyme that catalyzes the oxidation of arylalkylamine neurotransmitters. The crystal structures of MAO B in complex with four of the N-propargylaminoindan class of MAO covalent inhibitors (rasagiline, N-propargyl-1(S)-aminoindan, 6-hydroxy-N-propargyl-1(R)-aminoindan, and N-methyl-N-propargyl-1(R)-aminoindan) have been determined at a resolution of better than 2.1 A. Rasagiline, 6-hydroxy-N-propargyl-1(R)-aminoindan, and N-methyl-N-propargyl-1(R)-aminoindan adopt essentially the same conformation with the extended propargyl chain covalently bound to the flavin and the indan ring located in the rear of the substrate cavity. N-Propargyl-1(S)-aminoindan binds with the indan ring in a flipped conformation with respect to the other inhibitors, which causes a slight movement of the Tyr326 side chain. Four ordered water molecules are an integral part of the active site and establish H-bond interactions to the inhibitor atoms. These structural studies may guide future drug design to improve selectivity and efficacy by introducing appropriate substituents on the rasagiline molecular scaffold.
| | The line below this paragraph, {{ABSTRACT_PUBMED_15027868}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 15027868 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_15027868}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Inhibitor binding]] | | [[Category: Inhibitor binding]] |
| [[Category: Rasagiline]] | | [[Category: Rasagiline]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 08:14:38 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 05:16:35 2008'' |