1hqd: Difference between revisions

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[[Image:1hqd.gif|left|200px]]
[[Image:1hqd.gif|left|200px]]


{{Structure
<!--
|PDB= 1hqd |SIZE=350|CAPTION= <scene name='initialview01'>1hqd</scene>, resolution 2.30&Aring;
The line below this paragraph, containing "STRUCTURE_1hqd", creates the "Structure Box" on the page.
|SITE=
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
|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>
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
|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>
or leave the SCENE parameter empty for the default display.
|GENE=  
-->
|DOMAIN=
{{STRUCTURE_1hqd| PDB=1hqd  | SCENE= }}  
|RELATEDENTRY=[[3lip|3LIP]], [[1oil|1OIL]], [[2lip|2LIP]], [[4lip|4LIP]], [[5lip|5LIP]]
|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>
}}


'''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.]]
[[Category: crystal structure]]
[[Category: Crystal structure]]
[[Category: molecular modelling]]
[[Category: Molecular modelling]]
[[Category: pseudomonas cepacia lipase]]
[[Category: Pseudomonas cepacia lipase]]
[[Category: racemic sec alcohol]]
[[Category: Racemic sec alcohol]]
[[Category: transition state (ts) analogue]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 19:07:15 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:09:02 2008''

Revision as of 16:07, 2 May 2008

File: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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