8PC7

STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE

Summary for 8PC7

Entry DOI	10.2210/pdb8pc7/pdb
Related	6SXP 6SXY 6SYA 6SYL
Descriptor	Esterase, DI(HYDROXYETHYL)ETHER, hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid, ... (5 entities in total)
Functional Keywords	ester hydrolase, complex, hydrolase
Biological source	metagenome
Total number of polymer chains	4
Total formula weight	162810.07
Authors	Cea-Rama, I.,Sanz-Aparicio, J. (deposition date: 2023-06-09, release date: 2023-07-19, Last modification date: 2024-11-06)
Primary citation	Fernandez-Lopez, L.,Cea-Rama, I.,Alvarez-Malmagro, J.,Ressmann, A.K.,Gonzalez-Alfonso, J.L.,Coscolin, C.,Shahgaldian, P.,Plou, F.J.,Modregger, J.,Pita, M.,Sanz-Aparicio, J.,Ferrer, M. Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor. Chem.Commun.(Camb.), 59:9469-9472, 2023 Cited by PubMed Abstract: Metal complexes introduced into protein scaffolds can generate versatile biomimetic catalysts endowed with a variety of catalytic properties. Here, we synthesized and covalently bound a bipyridinyl derivative to the active centre of an esterase to generate a biomimetic catalyst that shows catecholase activity and enantioselective catalytic oxidation of (+)-catechin. PubMed: 37376994 DOI: 10.1039/d3cc01946b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation