Fig. 2: Structure of MehpH in apo and in complex with ligand. | Communications Chemistry

Fig. 2: Structure of MehpH in apo and in complex with ligand.

From: Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase

Fig. 2

a Crystal structure of MehpH in apo form. The lid domain and α/β hydrolase core are colored in purple and cyan, respectively. Similar colors are used in other panels unless otherwise indicated. The catalytic triad (Ser125, Asp259 and His291) is shown in stick representation. The α-helices and β-strands are labeled from A to K and from 1 to 8, respectively. b The penetrating tunnel in the structure of apo-MehpH. c Structure superposition of apo-MehpH and MehpH-ligand complex, in which apo-MehpH is colored in grey. The Ser125-PA covalent intermediate and butanol are shown as sticks. d The location of Ser125-PA covalent intermediate and butanol in the penetrating tunnel of MehpH-ligand complex.

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