1hqd

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[[Image:1hqd.gif|left|200px]]<br /><applet load="1hqd" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1hqd.gif|left|200px]]
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caption="1hqd, resolution 2.30&Aring;" />
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'''PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE'''<br />
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{{Structure
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|PDB= 1hqd |SIZE=350|CAPTION= <scene name='initialview01'>1hqd</scene>, resolution 2.30&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=INK:(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE'>INK</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1HQD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Burkholderia_cepacia Burkholderia cepacia] with <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=INK:'>INK</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HQD OCA].
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1HQD is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Burkholderia_cepacia Burkholderia cepacia]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HQD OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11453990 11453990]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/11453990 11453990]
[[Category: Burkholderia cepacia]]
[[Category: Burkholderia cepacia]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: molecular modelling]]
[[Category: molecular modelling]]
[[Category: pseudomonas cepacia lipase]]
[[Category: pseudomonas cepacia lipase]]
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[[Category: racemic sec alcohols]]
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[[Category: racemic sec alcohol]]
[[Category: transition state (ts) analogue]]
[[Category: transition state (ts) analogue]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:03:46 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:40:16 2008''

Revision as of 09:40, 20 March 2008

Image:1hqd.gif


PDB ID 1hqd

Drag the structure with the mouse to rotate
, resolution 2.30Å
Ligands: and
Activity: Triacylglycerol lipase, with EC number 3.1.1.3
Coordinates: save as pdb, mmCIF, xml



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

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