2vz2
From Proteopedia
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- | [[ | + | ==HUMAN MAO B IN COMPLEX WITH MOFEGILINE== |
+ | <StructureSection load='2vz2' size='340' side='right' caption='[[2vz2]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
+ | == Structural highlights == | ||
+ | <table><tr><td colspan='2'>[[2vz2]] is a 2 chain structure with 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=2VZ2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VZ2 FirstGlance]. <br> | ||
+ | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C15:N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE'>C15</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MFG:(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE'>MFG</scene><br> | ||
+ | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2c67|2c67]], [[1oja|1oja]], [[2v5z|2v5z]], [[1s3e|1s3e]], [[2c73|2c73]], [[1ojb|1ojb]], [[2v60|2v60]], [[2byb|2byb]], [[2vrm|2vrm]], [[2c65|2c65]], [[2c64|2c64]], [[1oj9|1oj9]], [[1ojd|1ojd]], [[1s3b|1s3b]], [[2c66|2c66]], [[2bk4|2bk4]], [[2bk5|2bk5]], [[2c70|2c70]], [[1h8r|1h8r]], [[2c75|2c75]], [[2bk3|2bk3]], [[2v61|2v61]], [[2c72|2c72]], [[1s2y|1s2y]], [[1gos|1gos]], [[1s2q|1s2q]], [[2c76|2c76]], [[2vrl|2vrl]], [[1ojc|1ojc]]</td></tr> | ||
+ | <tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Monoamine_oxidase Monoamine oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.3.4 1.4.3.4] </span></td></tr> | ||
+ | <tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vz2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vz2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vz2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vz2 PDBsum]</span></td></tr> | ||
+ | <table> | ||
+ | == Evolutionary Conservation == | ||
+ | [[Image:Consurf_key_small.gif|200px|right]] | ||
+ | Check<jmol> | ||
+ | <jmolCheckbox> | ||
+ | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vz/2vz2_consurf.spt"</scriptWhenChecked> | ||
+ | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
+ | <text>to colour the structure by Evolutionary Conservation</text> | ||
+ | </jmolCheckbox> | ||
+ | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf]. | ||
+ | <div style="clear:both"></div> | ||
+ | <div style="background-color:#fffaf0;"> | ||
+ | == Publication Abstract from PubMed == | ||
+ | Mechanistic and structural studies have been carried out to investigate the molecular basis for the irreversible inhibition of human MAO-B by mofegiline. Competitive inhibition with substrate shows an apparent K(i) of 28 nM. Irreversible inhibition of MAO-B occurs with a 1:1 molar stoichiometry with no observable catalytic turnover. The absorption spectral properties of mofegiline inhibited MAO-B show features (lambda(max) approximately 450 nm) unlike those of traditional flavin N(5) or C(4a) adducts. Visible and near-UV circular dichroism spectra of the mofegiline-MAO-B adduct shows a negative peak at 340 nm with an intensity similar to that of N(5) flavocyanine adducts. The X-ray crystal structure of the mofegiline-MAO-B adduct shows a covalent bond between the flavin cofactor N(5) with the distal allylamine carbon atom as well as the absence of the fluorine atom. A mechanism to explain these structural and spectral data is proposed. | ||
- | + | Structural and Mechanistic Studies of Mofegiline Inhibition of Recombinant Human Monoamine Oxidase B ( parallel).,Milczek EM, Bonivento D, Binda C, Mattevi A, McDonald IA, Edmondson DE J Med Chem. 2008 Dec 2. PMID:19053775<ref>PMID:19053775</ref> | |
- | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
- | + | </div> | |
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==See Also== | ==See Also== | ||
*[[Monoamine oxidase|Monoamine oxidase]] | *[[Monoamine oxidase|Monoamine oxidase]] | ||
- | + | == References == | |
- | == | + | <references/> |
- | < | + | __TOC__ |
+ | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Monoamine oxidase]] | [[Category: Monoamine oxidase]] |
Revision as of 06:35, 29 September 2014
HUMAN MAO B IN COMPLEX WITH MOFEGILINE
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