2YIM

The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue

2YIM の概要

• エントリーDOI: 10.2210/pdb2yim/pdb
• 関連するPDBエントリー: 1X74
• 分子名称: PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (2-METHYLACYL-COA RACEMASE) (2-ARYLPROPIONYL-COA EPIMERASE ), GLYCEROL, 2-METHYLACETOACETYL COA, ... (5 entities in total)
• 機能のキーワード: isomerase, methyl-coa racemase, transition state, molecular dynamics, qm/mm, oxyanion hole
• 由来する生物種: MYCOBACTERIUM TUBERCULOSIS
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 159000.12

構造登録者

Sharma, S.,Bhaumik, P.,Venkatesan, R.,Hiltunen, J.K.,Conzelmann, E.,Juffer, A.H.,Wierenga, R.K. (登録日: 2011-05-16, 公開日: 2012-03-28, 最終更新日: 2023-12-20)

• 主引用文献: Sharma, S.,Bhaumik, P.,Schmitz, W.,Venkatesan, R.,Hiltunen, J.K.,Conzelmann, E.,Juffer, A.H.,Wierenga, R.K.; The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 A Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed Qm/Mm Calculations.; J Phys Chem B, 116:3619-, 2012; PubMed: 22360758; DOI: 10.1021/JP210185M

実験手法

X-RAY DIFFRACTION (1.41 Å)