| Single-crystal X-ray diffraction (1.70 Å resolution) | PDB ID: 22LK; no major structural changes compared with F87A. The W215 indole nitrogen formed a polar contact with a newly observed structural water molecule, which bridged the π-nitrogen of H171 and the hydroxyl oxygen of Y160. π–π interactions occurred between W215–Y160 and Y160–F162. The dihedral angles between the aromatic planes of W408–Y305 remained ≤30°, and the W408–Y305 distance was 4.5 Å |
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Zihan Wang, Mingming Qin, Yongchao Wang, Fuquan Yao, Zhengyi Zhang, Hui Wang, Xiangquan Qin, Binju Wang, Fuli Li, Zhiqi Cong. “Introducing redox-active residues to enhance P450 peroxygenase performance.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15005846/v2
The main paper refers to supporting information, but no separate supporting information file was found among the files available from the ChemRxiv record
| Single-crystal X-ray diffraction (2.73 Å resolution) | PDB ID: 27JN; no significant global conformational change compared with the parental QE variant; a new π–π stacking interaction formed between Y206 and Y177 |
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