2v61 | pdb_00002v61

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

File:2v61.gif

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2v61, resolution 1.70Å
Sites:	AC1, AC2, AC3 and AC4
Ligands:	C18, FAD
Activity:	Amine oxidase (flavin-containing), with EC number 1.4.3.4
Related:	1GOS, 1H8R, 1OJ9, 1OJA, 1OJB, 1OJC, 1OJD, 1S2Q, 1S2Y, 1S3B, 1S3E, 2BK3, 2BK4, 2BK5, 2BYB, 2C64, 2C65, 2C66, 2C67, 2C70, 2C72, 2C73, 2C75, 2C76, 2V5Z, 2V60
Resources:	FirstGlance, OCA, PDBsum, RCSB
Coordinates:	save as pdb, mmCIF, xml

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

2V61 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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