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. 2022 Jun 29;10:893468. doi: 10.3389/fcell.2022.893468

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Copyright © 2022 Ning, Geng, Lovett-Barron, Niu, Deng, Wang, Ataie, Sens, Ng, Chen, Deisseroth, Lin and Chu.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Structural basis of blue-shifting for Asn41, His28, and Ser11 in Crimson. (A) Alignment of Crimson (magenta), Neptune (PDB entry 3IP2, light blue) and mKate (PDB entry 3BXC, pink) chromophores. The chromophore rings are more coplanar in Crimson or Neptune than in mKate. The chromophore acylimine oxygen is indicated by the dashed box. (B) Hydrogen-bond interactions between the chromophore acylimine oxygen and its surrounding residues in Crimson, mKate and Neptune. In mKate, the acylimine oxygen does not engage in any hydrogen bond interactions. In Neptune, a water molecule donates a hydrogen bond to the acylimine oxygen and accepts a hydrogen bond from Ser-28. In Crimson, a hydrogen bond between Ser-11 and His-28 precludes one between His-28 and the acylimine oxygen. In addition, the side chain of Asn-41 is too short to hydrogen bond to the acylimine oxygen.