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Communication

Design and Structure Analysis of Artificial Metalloproteins: Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in the apo-Myoglobin Scaffold

Supporting Info

Satoshi Abe,^† Takafumi Ueno,^†^‡ Pattubala A. N. Reddy,^† Seiji Okazaki,^§ Tatsuo Hikage, Atsuo Suzuki,^§ Takashi Yamane,^§ Hiroshi Nakajima,^† and Yoshihito Watanabe*

Department of Chemistry, Graduate School of Science, Department of Biotechnology, Graduate School of Engineering, High Intensity X-ray Diffraction Laboratory, and Research Center for Materials Science, Nagoya University, Nagoya 464-8602, Japan, and PRESTO, Japan Science and Technology Agency (JST), Saitama 332-0012, Japan

Inorg. Chem., 2007, 46 (13), pp 5137–5139

DOI: 10.1021/ic070289m

Publication Date (Web): May 25, 2007

†

Department of Chemistry, Graduate School of Science, Nagoya University.

‡

PRESTO, Japan Science and Technology Agency (JST), Japan.

Department of Biotechnology, Graduate School of Engineering, Nagoya University.

High Intensity X-ray Diffraction Laboratory, Nagoya University.

To whom correspondence should be addressed. E-mail: yoshi@ nucc.cc.nagoya-u.ac.jp. Phone: +81-52-789-3049. Fax: +81-52-789-2953.

Research Center for Materials Science, Nagoya University.

Abstract

apo-Myoglobin (apo-Mb) was reconstituted with three copper complexes: Cu^II(Sal-Phe) (1; Sal-Phe = N-salicylidene-l-phenylalanato), Cu^II(Sal-Leu) (2; Sal-Leu = N-salicylidene-l-leucinato), and Cu^II(Sal-Ala) (3; Sal-Ala = N-salicylidene-l-alanato). The crystal structures of 1·apo-Mb (1.65 Å resolution) and 2·apo-Mb (1.8 Å resolution) show that the coordination geometry around the Cu^II atom in apo-Mb is distorted square-planar with tridentate Sal-X and a N^ε atom of His64 in the apo-Mb cavity and the plane of these copper complexes is perpendicular to that of heme. These results suggest that the apo-Mb cavity can hold metal complexes with various coordination geometries.