Carboxylesterase

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	===CE with β-lactamase fold===		===CE with β-lactamase fold===
-	[[1ci9]] – CE + DFP – ''Burkholderia gladioli''	+	[[1ci9]] – BgCE + DFP – ''Burkholderia gladioli''<br />
		+	[[1ci8]] – BgCE<br />
		+	[[4ivi]] – CE family VIII – bacterium<br />
	===α-esterase 7 CE===		===α-esterase 7 CE===
	[[4fnm]], [[4fng]] – CE (mutant) – blowfly<br />		[[4fnm]], [[4fng]] – CE (mutant) – blowfly<br />
		+
		+	===Other CEs===
		+
		+	[[4ccw]] – BsCE NP – ''Bacillus subtilis''<br />
		+	[[4ccy]] – BsCE YbfK<br />
	==References==		==References==
	<references/>		<references/>

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Revision as of 09:36, 16 February 2014

Template:STRUCTURE 4ab1 Carboxylesterase (CE) catalyzes the conversion of a wide variety carboxylic esters to alcohol and carboxylate. The catalytic triad of CE involves serine, glutamic acid or aspartic acid and histidine. Human CE1 (hCE1) is involved in drug metabolism and activation. It catalyzes the hydrolysis of heroin and cocaine.
Human carboxylesterase 1 (rhCES1) has been produced in and isolated from whole Trichoplusia ni larvae. The recombinant protein was crystallized and its structure was solved to 2.2 Å resolution (4ab1). The current structure of rhCES1 represents the first published hexagonal crystal form, despite the fact that all other published examples of hCES1 structures consist of a hexamer in the asymmetric unit. found in this space group, while the three twofold axes at z = 1/4 that intersect on this axis complete the . An gave an r.m.s. deviation of 0.42 Å for 522 Cα atoms (2h7c is colored in red and rhCES1 is in green). An r.m.s. value of 0.47 Å (3132 Cα atoms) was obtained for the , indicating that the quaternary structure is essentially identical in these crystal forms isolated from cultured Sf21 cells, supporting the use of this expression system to produce recombinant enzymes for crystallization studies. Regions of the current structure that differ from the previously reported examples of hCES1 include Ser365–Asp374, which has very poor density. In the 2h7c structure . The poorly defined density for this same region in rhCES1 is consistent with the observation that (the loop of one subunit is in red and the loop of the second subunit is in orange). The current results confirm that rhHCES1 isolated from the T. ni system is essentially identical to previous examples of this enzyme isolated from cultured insect cells, validating the use of the whole insect system as a source for recombinant proteins in structure determination studies.^[1]

3D structures of Carboxylesterase

Updated on 16-February-2014

CE with α,β-hydrolase fold

1auo, 1aur – CE – Pseudomonas fluorescens
3cn7, 3cn9 - CE – Pseudomonas aeruginosa
1jji – CE – Archaeoglobus fulgidus
1r1d, 2ogs, 2ogt – GsCE – Geobacillus stearothermophilus
1u4n, 2hm7 - AaCE (mutant) – Alicyclobacillus acidocaldarius
2c7b – CE – uncultured archaeon
2h1i – CE – Bacillus cereus
4ab1 – hCE1 - human

CE with α,β-hydrolase fold binary complex

1k4y – CE + pyridino-piperidine – rabbit
1mx5 – hCE1 + cocaine analog
1mx9 – hCE1 + heroin analog
1mx1 – hCE1 + tacrine
1ya8 – hCE1 + mevastatin
1yah – hCE1 + etyl ester
1yaj – hCE1 + benzil
2dqy – hCE1 + cholate + palmitate
2dr0 - hCE1 + taurocholate
2dqz – hCE1 + CoA + homatropine + palmitate
2h7c - hCE1 + CoA
2hrq – hCE1 + soman
2hrr– hCE1 + tabun
3k9b – hCE1 + cyclosarin
1qz3 – AaCE (mutant) + hexadecanesulfonate
1tqh – GsCE + propyl acetate
2o7r - AeCE + propyl acetate – Actinidia eriantha
2o7v – AeCE + paraoxon
2wkw – CE + product analog - Alcaligenes

CE with β-lactamase fold

1ci9 – BgCE + DFP – Burkholderia gladioli
1ci8 – BgCE
4ivi – CE family VIII – bacterium

α-esterase 7 CE

4fnm, 4fng – CE (mutant) – blowfly

Other CEs

4ccw – BsCE NP – Bacillus subtilis
4ccy – BsCE YbfK

References

1. ↑ Greenblatt HM, Otto TC, Kirkpatrick MG, Kovaleva E, Brown S, Buchman G, Cerasoli DM, Sussman JL. Structure of recombinant human carboxylesterase 1 isolated from whole cabbage looper larvae. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Mar 1;68(Pt 3):269-72., Epub 2012 Feb 15. PMID:22442219 doi:10.1107/S1744309112003326