3VXG

Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis

3VXG の概要

• エントリーDOI: 10.2210/pdb3vxg/pdb
• 関連するPDBエントリー: 4H8N
• 分子名称: Conjugated polyketone reductase C2 (2 entities in total)
• 機能のキーワード: oxidoreductase, tim barrel, d-pantoyl lactone
• 由来する生物種: Candida parapsilosis (Yeast)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36865.66

構造登録者

Qin, H.-M.,Yamamura, A.,Miyakawa, T.,Maruoka, S.,Ohtsuka, J.,Nagata, K.,Kataoka, M.,Shimizu, S.,Tanokura, M. (登録日: 2012-09-13, 公開日: 2013-08-07, 最終更新日: 2023-11-08)

主引用文献

Qin, H.-M.,Yamamura, A.,Miyakawa, T.,Kataoka, M.,Nagai, T.,Kitamura, N.,Urano, N.,Maruoka, S.,Ohtsuka, J.,Nagata, K.,Shimizu, S.,Tanokura, M.
Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding
Appl.Microbiol.Biotechnol., 98:243-249, 2014

PubMed Abstract: Conjugated polyketone reductase C2 (CPR-C2) from Candida parapsilosis IFO 0708, identified as a nicotinamide adenine dinucleotide phosphate (NADPH)-dependent ketopantoyl lactone reductase, belongs to the aldo-keto reductase superfamily. This enzyme reduces ketopantoyl lactone to D-pantoyl lactone in a strictly stereospecific manner. To elucidate the structural basis of the substrate specificity, we determined the crystal structures of the apo CPR-C2 and CPR-C2/NADPH complex at 1.70 and 1.80 Å resolutions, respectively. CPR-C2 adopted a triose-phosphate isomerase barrel fold at the core of the structure. Binding with the cofactor NADPH induced conformational changes in which Thr27 and Lys28 moved 15 and 5.0 Å, respectively, in the close vicinity of the adenosine 2'-phosphate group of NADPH to form hydrogen bonds. Based on the comparison of the CPR-C2/NADPH structure with 3-α-hydroxysteroid dehydrogenase and mutation analyses, we constructed substrate binding models with ketopantoyl lactone, which provided insight into the substrate specificity by the cofactor-induced structure. The results will be useful for the rational design of CPR-C2 mutants targeted for use in the industrial manufacture of ketopantoyl lactone.

PubMed: 23828603
DOI: 10.1007/s00253-013-5073-9

実験手法

X-RAY DIFFRACTION (1.7 Å)