1N1P

ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.4 (STREPTOMYCES SP. SA-COO)

1N1P の概要

• エントリーDOI: 10.2210/pdb1n1p/pdb
• 関連するPDBエントリー: 1B4V 1B8S 1CBO 1CC2 1IJH 1MXT 1N4U 1N4V 1N4W
• 分子名称: Cholesterol oxidase, MANGANESE (II) ION, FLAVIN-ADENINE DINUCLEOTIDE, ... (5 entities in total)
• 機能のキーワード: flavoenzyme, steroid metabolism, oxidoreductase, atomic resolution
• 由来する生物種: Streptomyces sp.
• 細胞内の位置: Secreted: P12676
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 56012.13

構造登録者

Vrielink, A.,Lario, P.I. (登録日: 2002-10-18, 公開日: 2003-10-28, 最終更新日: 2024-02-14)

主引用文献

Lario, P.I.,Vrielink, A.
Atomic Resolution Density Maps Reveal Secondary Structure Dependent Differences in Electronic Distribution
J.Am.Chem.Soc., 125:12787-12794, 2003

PubMed Abstract: The X-ray crystal structure of the flavoenzyme cholesterol oxidase, SCOA (Streptomyces sp.SA-COO) has been determined to 0.95 A resolution. The large size (55kDa) and the high-resolution diffraction of this protein provides a unique opportunity to observe detailed electronic effects within a protein environment and to obtain a larger sampling for which to analyze these electronic and structural differences. It is well-known through spectroscopic methods that peptide carbonyl groups are polarized in alpha-helices. This electronic characteristic is evident in the sub-Angstrom electron density of SCOA. Our analysis indicates an increased tendency for the electron density of the main chain carbonyl groups within alpha-helices to be polarized toward the oxygen atoms. In contrast, the carbonyl groups in beta-sheet structures tend to exhibit a greater charge density between the carbon and oxygen atoms. Interestingly, the electronic differences observed at the carbonyl groups do not appear to be correlated to the bond distance of the peptide bond or the peptide planarity. This study gives important insight into the electronic effects of alpha-helix dipoles in enzymes and provides experimentally based observations that have not been previously characterized in protein structure.

PubMed: 14558826
DOI: 10.1021/ja0289954

実験手法

X-RAY DIFFRACTION (0.95 Å)