1JJI

The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus

Summary for 1JJI

• Entry DOI: 10.2210/pdb1jji/pdb
• Descriptor: Carboxylesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID (3 entities in total)
• Functional Keywords: alpha-beta hydrolase fold, hydrolase
• Biological source: Archaeoglobus fulgidus
• Total number of polymer chains: 4
• Total formula weight: 143073.88

Authors

De Simone, G.,Menchise, V.,Manco, G.,Mandrich, L.,Sorrentino, N.,Lang, D.,Rossi, M.,Pedone, C. (deposition date: 2001-07-06, release date: 2001-12-05, Last modification date: 2024-10-30)

Primary citation

De Simone, G.,Menchise, V.,Manco, G.,Mandrich, L.,Sorrentino, N.,Lang, D.,Rossi, M.,Pedone, C.
The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
J.Mol.Biol., 314:507-518, 2001

PubMed Abstract: The crystal structure of AFEST, a novel hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus, complexed with a sulphonyl derivative, has been determined and refined to 2.2 A resolution. This enzyme, which has recently been classified as a member of the hormone- sensitive-lipase (H) group of the esterase/lipase superfamily, presents a canonical alpha/beta hydrolase core, shielded on the C-terminal side by a cap region composed of five alpha-helices. It contains the catalytic triad Ser160, His285 and Asp255, whereby the nucleophile is covalently modified and the oxyanion hole formed by Gly88, Gly89 and Ala161. A structural comparison of AFEST with its mesophilic and thermophilic homologues, Brefeldin A esterase from Bacillus subtilis (BFAE) and EST2 from Alicyclobacillus acidocaldarius, reveals an increase in the number of intramolecular ion pairs and secondary structure content, as well as a significant reduction in loop extensions and ratio of hydrophobic to charged surface area. The variety of structural differences suggests possible strategies for thermostabilization of lipases and esterases with potential industrial applications.

PubMed: 11846563
DOI: 10.1006/jmbi.2001.5152

Experimental method

X-RAY DIFFRACTION (2.2 Å)