3B1T

Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine

3B1T の概要

• エントリーDOI: 10.2210/pdb3b1t/pdb
• 関連するPDBエントリー: 3B1U
• 分子名称: Protein-arginine deiminase type-4, 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: nuclei, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: Q9UM07
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 75809.27

構造登録者

Causey, C.P.,Jones, J.E.,Slack, J.L.,Kamei, D.,Jones Jr, L.E.,Subramanian, V.,Knuckley, B.,Ebrahimi, P.,Chumanevich, A.A.,Luo, Y.,Hashimoto, H.,Shimizu, T.,Sato, M.,Hofseth, L.J.,Thompson, P.R. (登録日: 2011-07-13, 公開日: 2011-10-26, 最終更新日: 2023-11-01)

• 主引用文献: Causey, C.P.,Jones, J.E.,Slack, J.L.,Kamei, D.,Jones Jr, L.E.,Subramanian, V.,Knuckley, B.,Ebrahimi, P.,Chumanevich, A.A.,Luo, Y.,Hashimoto, H.,Sato, M.,Hofseth, L.J.,Thompson, P.R.; The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors; J.Med.Chem., 54:6919-6935, 2011; PubMed: 21882827; DOI: 10.1021/jm2008985

実験手法

X-RAY DIFFRACTION (2.5 Å)