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Rebecca Hoff/Sandbox 1

Introduction

^[1]

Function

Relevance

Plastic Pollution

PET Depolymerization

Structural Overview

Catalytic Triad

As the PET substrate binds to the enzyme, its carbonyl bond attached to the first benzene ring must be harbored close to Serine in the catalytic triad (Fig. 2). Serine gets polarized by histidine, which is then stabilized by aspartic acid. Polarized Serine will attack the carbonyl bond (C-O) of the polyester, resulting in a tetrahedral in- termediate, which is then stabilized by the oxyanion hole. The hy- drolysis procedure is completed by a second nucleophilic attack mediated through a water molecule "PEThydrolase-insilico-engineering"

Ligand Binding Pocket

hydrophobic pocket from "An engineered PET depolymerase to break down and recycle plastic bottles"

Mutation Sites of Interest

F243

T96

Y127

N246

S283 & D238

It gains stability with two disulfide bonds, while only one conserved disulfide bond exists in other homologs. Conserved disulfide bond C273-C289 connects the last loop to the C-terminal helix. The IsPETase-specific disulfide bond C203-C239 harbors the catalytic acid and the base [43], and has been shown to result in a lower energy barrier/higher efficiency for PET hydrolysis - "PEThydrolase-insilico-engineering"