2AGV

Crystal structure of the SR CA2+-ATPASE with BHQ and TG

2AGV の概要

• エントリーDOI: 10.2210/pdb2agv/pdb
• 関連するPDBエントリー: 1IWO 1SU4 1VFP 1WPE 1WPG
• 分子名称: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, SODIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER, ... (6 entities in total)
• 機能のキーワード: membrane protein, p-type atpase, had fold, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Oryctolagus cuniculus (rabbit)
• 細胞内の位置: Endoplasmic reticulum membrane; Multi-pass membrane protein: P04191
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 225401.52

構造登録者

Toyoshima, C.,Obara, K.,Norimatsu, Y. (登録日: 2005-07-27, 公開日: 2005-10-25, 最終更新日: 2024-10-09)

主引用文献

Obara, K.,Miyashita, N.,Xu, C.,Toyoshima, I.,Sugita, Y.,Inesi, G.,Toyoshima, C.
Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 102:14489-14496, 2005

PubMed Abstract: Ca(2+)-ATPase of sarcoplasmic reticulum is an ATP-powered Ca(2+) pump but also a H(+) pump in the opposite direction with no demonstrated functional role. Here, we report a 2.4-A-resolution crystal structure of the Ca(2+)-ATPase in the absence of Ca(2+) stabilized by two inhibitors, dibutyldihydroxybenzene, which bridges two transmembrane helices, and thapsigargin, also bound in the membrane region. Now visualized are water and several phospholipid molecules, one of which occupies a cleft between two transmembrane helices. Atomic models of the Ca(2+) binding sites with explicit hydrogens derived by continuum electrostatic calculations show how water and protons fill the space and compensate charge imbalance created by Ca(2+)-release. They suggest that H(+) countertransport is a consequence of a requirement for maintaining structural integrity of the empty Ca(2+)-binding sites. For this reason, cation countertransport is probably mandatory for all P-type ATPases and possibly accompanies transport of water as well.

PubMed: 16150713
DOI: 10.1073/pnas.0506222102

実験手法

X-RAY DIFFRACTION (2.4 Å)