Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein

Mahatabuddin, Sheikh; Fukami, Daichi; Arai, Tatsuya; Nishimiya, Yoshiyuki; Shimizu, Rumi; Shibazaki, Chie; Kondo, Hidemasa; Adachi, Motoyasu; Tsuda, Sakae

Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein

Mahatabuddin, Sheikh; Fukami, Daichi; Arai, Tatsuya et al.

Proceedings of the National Academy of Sciences of the United States of America (PNAS), 2018, 115(21), 5456-5461

Permalink : https://hdl.handle.net/2115/71437

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アクセス権	open access
URI	https://hdl.handle.net/2115/71437
タイトル	Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
著者	Mahatabuddin, Sheikh ; Fukami, Daichi ; Arai, Tatsuya ; Nishimiya, Yoshiyuki ; Shimizu, Rumi ; Shibazaki, Chie ; Kondo, Hidemasa ; Adachi, Motoyasu ; Tsuda, Sakae
著者名 Mahatabuddin, Sheikh
著者名 Fukami, Daichi
著者名 Arai, Tatsuya
e-Rad_Researcher 00357716 著者名 Nishimiya, Yoshiyuki
著者名 Shimizu, Rumi
著者名 Shibazaki, Chie
e-Rad_Researcher 80357045 著者名 Kondo, Hidemasa
著者名 Adachi, Motoyasu
e-Rad_Researcher 70211381 著者名 Tsuda, Sakae
言語	英語
キーワード	hydration shell
	ice-binding protein
	crystal structure
	water cluster
	polypentagonal waters
発行日	2018-05-22
出版者	National Academy of Sciences.
収録物名	Proceedings of the National Academy of Sciences of the United States of America (PNAS)
巻(号)	115(21)
ページ	5456-5461
抄録	Polypentagonal water networks were recently observed in a protein capable of binding to ice crystals, or ice-binding protein (IBP). To examine such water networks and clarify their role in ice-binding, we determined X-ray crystal structures of a 65-residue defective isoform of a Zoarcidae-derived IBP (wild type, WT) and its five single mutants (A20L, A20G, A20T, A20V, and A20I). Polypentagonal water networks composed of similar to 50 semiclathrate waters were observed solely on the strongest A20I mutant, which appeared to include a tetrahedral water cluster exhibiting a perfect position match to the (1010) first prism plane of a single ice crystal. Inclusion of another symmetrical water cluster in the poly-pentagonal network showed a perfect complementarity to the waters constructing the (2021) pyramidal ice plane. The order of ice-binding strength was A20L < A20G < WT < A20T < A20V < A20I, where the top three mutants capable of binding to the first prism and the pyramidal ice planes commonly contained a bifurcated gamma-CH3 group. These results suggest that a fine-tuning of the surface of Zoarcidae-derived IBP assisted by a side-chain group regulates the holding property of its polypentagonal water network, the function of which is to freeze the host protein to specific ice planes.
資源タイプ	学術雑誌論文
出版タイプ	Version of Record
権利情報	Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
権利情報	Copyright (C) 2018 the Author(s). Published by PNAS
PISSN	0027-8424
関連情報	PMID 29735675
関連情報 (isIdenticalTo)	出版社版DOI https://doi.org/10.1073/pnas.1800635115