2W2F

CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM

Summary for 2W2F

• Entry DOI: 10.2210/pdb2w2f/pdb
• Related: 2GC9 2W2A 2W2B 2WSJ
• Descriptor: P-COUMARIC ACID DECARBOXYLASE, BARIUM ION (3 entities in total)
• Functional Keywords: lyase
• Biological source: LACTOBACILLUS PLANTARUM
• Total number of polymer chains: 4
• Total formula weight: 91531.59

Authors

Rodriguez, H.,Angulo, I.,De Las Rivas, B.,Campillo, N.,Paez, J.A.,Munoz, R.,Mancheno, J.M. (deposition date: 2008-10-29, release date: 2010-02-09, Last modification date: 2023-12-13)

Primary citation

Rodriguez, H.,Angulo, I.,De Las Rivas, B.,Campillo, N.,Paez, J.A.,Munoz, R.,Mancheno, J.M.
P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78:1662-, 2010

PubMed Abstract: p-Coumaric acid decarboxylases (PDCs) catalyze the nonoxidative decarboxylation of hydroxycinnamic acids to generate the corresponding vinyl derivatives. Despite the biotechnological relevance of PDCs in food industry, their catalytic mechanism remains largely unknown. Here, we report insights into the structural basis of catalysis for the homodimeric PDC from Lactobacillus plantarum (LpPDC). The global fold of LpPDC is based on a flattened beta-barrel surrounding an internal cavity. Crystallographic and functional analyses of single-point mutants of residues located within this cavity have permitted identifying a potential substrate-binding pocket and also to provide structural evidences for rearrangements of surface loops so that they can modulate the accessibility to the active site. Finally, combination of the structural and functional data with in silico results enables us to propose a two-step catalytic mechanism for decarboxylation of p-coumaric acid by PDCs where Glu71 is involved in proton transfer, and Tyr18 and Tyr20 are involved in the proper substrate orientation and in the release of the CO(2) product.

PubMed: 20112419
DOI: 10.1002/PROT.22684

Experimental method

X-RAY DIFFRACTION (1.73 Å)