1hqd
From Proteopedia
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|PDB= 1hqd |SIZE=350|CAPTION= <scene name='initialview01'>1hqd</scene>, resolution 2.30Å | |PDB= 1hqd |SIZE=350|CAPTION= <scene name='initialview01'>1hqd</scene>, resolution 2.30Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> | + | |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> |
| - | |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] | + | |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> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |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> | ||
}} | }} | ||
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[[Category: Tomic, S.]] | [[Category: Tomic, S.]] | ||
[[Category: Vitale, L.]] | [[Category: Vitale, L.]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: INK]] | ||
[[Category: crystal structure]] | [[Category: crystal structure]] | ||
[[Category: molecular modelling]] | [[Category: molecular modelling]] | ||
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[[Category: transition state (ts) analogue]] | [[Category: transition state (ts) analogue]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:09:02 2008'' |
Revision as of 18:09, 30 March 2008
| |||||||
| , resolution 2.30Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Triacylglycerol lipase, with EC number 3.1.1.3 | ||||||
| Related: | 3LIP, 1OIL, 2LIP, 4LIP, 5LIP
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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
Page seeded by OCA on Sun Mar 30 21:09:02 2008
Categories: Burkholderia cepacia | Single protein | Triacylglycerol lipase | Kojic-Prodic, B. | Lescic, I. | Ljubovic, E. | Luic, M. | Saenger, W. | Sepac, D. | Sunjic, V. | Tomic, S. | Vitale, L. | Crystal structure | Molecular modelling | Pseudomonas cepacia lipase | Racemic sec alcohol | Transition state (ts) analogue
