8BHH

The crystal structure of a feruloyl esterase C from Fusarium oxysporum in complex with p-coumaric acid

Summary for 8BHH

• Entry DOI: 10.2210/pdb8bhh/pdb
• Descriptor: Carboxylic ester hydrolase, DI(HYDROXYETHYL)ETHER, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
• Functional Keywords: ferulic acid esterase, coummaric acid, tannase-like, feruloyl esterase, hydrolase
• Biological source: Fusarium oxysporum
• Total number of polymer chains: 2
• Total formula weight: 121021.48

Authors

Dimarogona, M.,Topakas, E.,Kosinas, C.,Ferousi, C.,Nikolaivits, E. (deposition date: 2022-10-31, release date: 2023-07-05, Last modification date: 2024-01-03)

Primary citation

Ferousi, C.,Kosinas, C.,Nikolaivits, E.,Topakas, E.,Dimarogona, M.
Crystal structure of the Fusarium oxysporum tannase-like feruloyl esterase FaeC in complex with p-coumaric acid provides insight into ligand binding.
Febs Lett., 597:1415-1427, 2023

PubMed Abstract: Feruloyl esterases (FAEs) hydrolyze the ester bonds between hydroxycinnamic acids and arabinose residues of plant cell walls and exhibit considerable diversity in terms of substrate specificity. Here, we report the crystal structure of an FAE from Fusarium oxysporum (FoFaeC) at 1.7 Å resolution in complex with p-coumaric acid, which is the first ligand-bound structure of a tannase-like FAE. Our data reveal local conformational changes around the active site upon ligand binding, suggesting alternation between an active and a resting state of the enzyme. A swinging tyrosine residue appears to be gating the substrate binding pocket, while the lid domain of the protein exerts substrate specificity by means of a well-defined hydrophobic core that encases the phenyl moiety of the substrate.

PubMed: 36961270
DOI: 10.1002/1873-3468.14615

Experimental method

X-RAY DIFFRACTION (1.69 Å)