1hqd

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[[Image:1hqd.gif|left|200px]]
[[Image:1hqd.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1hqd |SIZE=350|CAPTION= <scene name='initialview01'>1hqd</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_1hqd", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=INK:(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC+ACID+CHLORIDE'>INK</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Triacylglycerol_lipase Triacylglycerol lipase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.3 3.1.1.3] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1hqd| PDB=1hqd | SCENE= }}
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|RELATEDENTRY=[[3lip|3LIP]], [[1oil|1OIL]], [[2lip|2LIP]], [[4lip|4LIP]], [[5lip|5LIP]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1hqd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hqd OCA], [http://www.ebi.ac.uk/pdbsum/1hqd PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hqd RCSB]</span>
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}}
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'''PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE'''
'''PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE'''
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[[Category: Tomic, S.]]
[[Category: Tomic, S.]]
[[Category: Vitale, L.]]
[[Category: Vitale, L.]]
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[[Category: crystal structure]]
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[[Category: Crystal structure]]
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[[Category: molecular modelling]]
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[[Category: Molecular modelling]]
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[[Category: pseudomonas cepacia lipase]]
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[[Category: Pseudomonas cepacia lipase]]
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[[Category: racemic sec alcohol]]
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[[Category: Racemic sec alcohol]]
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[[Category: transition state (ts) analogue]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:07:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:09:02 2008''
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Revision as of 16:07, 2 May 2008

Image:1hqd.gif

Template:STRUCTURE 1hqd

PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE


Overview

In a series of four racemic phenoxyalkyl-alkyl carbinols, 1-phenoxy-2-hydroxybutane (1) is enantioselectively acetylated by Burkholderia cepacia (formerly Pseudomonas cepacia) lipase with an E value > or = 200, whereas for the other three racemates E was found to be < or = 4. To explain the high preference of B. cepacia lipase for (R)-(+)-1, a precursor of its transition state analogue with a tetrahedral P-atom, (R(P),S(P))-O-(2R)-(1-phenoxybut-2-yl)methylphosphonic acid chloride was prepared and crystallized in complex with B. cepacia lipase. The X-ray structure of the complex was determined, allowing to compare the conformation of the inhibitor with results of molecular modelling.

About this Structure

1HQD is a Single protein structure of sequence from Burkholderia cepacia. Full crystallographic information is available from OCA.

Reference

Complex of Burkholderia cepacia lipase with transition state analogue of 1-phenoxy-2-acetoxybutane: biocatalytic, structural and modelling study., Luic M, Tomic S, Lescic I, Ljubovic E, Sepac D, Sunjic V, Vitale L, Saenger W, Kojic-Prodic B, Eur J Biochem. 2001 Jul;268(14):3964-73. PMID:11453990 Page seeded by OCA on Fri May 2 19:07:15 2008

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