5XA3

Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine

5XA3 の概要

• エントリーDOI: 10.2210/pdb5xa3/pdb
• 分子名称: Bifunctional cytochrome P450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, DIMETHYL SULFOXIDE, ... (7 entities in total)
• 機能のキーワード: cytochrome p450, oxidoreductase
• 由来する生物種: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512)
• 細胞内の位置: Cytoplasm : P14779
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 213784.77

構造登録者

Shoji, O.,Yanagisawa, S.,Stanfield, J.K.,Suzuki, K.,Kasai, C.,Cong, Z.,Sugimoto, H.,Shiro, Y.,Watanabe, Y. (登録日: 2017-03-10, 公開日: 2018-02-21, 最終更新日: 2023-11-22)

主引用文献

Shoji, O.,Yanagisawa, S.,Stanfield, J.K.,Suzuki, K.,Cong, Z.,Sugimoto, H.,Shiro, Y.,Watanabe, Y.
Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56:10324-10329, 2017

PubMed Abstract: The selective hydroxylation of benzene to phenol, without the formation of side products resulting from overoxidation, is catalyzed by cytochrome P450BM3 with the assistance of amino acid derivatives as decoy molecules. The catalytic turnover rate and the total turnover number reached 259 min  P450BM3 and 40 200 P450BM3 when N-heptyl-l-proline modified with l-phenylalanine (C7-l-Pro-l-Phe) was used as the decoy molecule. This work shows that amino acid derivatives with a totally different structure from fatty acids can be used as decoy molecules for aromatic hydroxylation by wild-type P450BM3. This method for non-native substrate hydroxylation by wild-type P450BM3 has the potential to expand the utility of P450BM3 for biotransformations.

PubMed: 28544674
DOI: 10.1002/anie.201703461

実験手法

X-RAY DIFFRACTION (2.2 Å)