3B18

Rv0098 of Mycobacterium tuberculosis with ordered loop between beta-4 and beta-5

3B18 の概要

• エントリーDOI: 10.2210/pdb3b18/pdb
• 関連するPDBエントリー: 2PFC
• 分子名称: Uncharacterized protein Rv0098/MT0107, LAURIC ACID (3 entities in total)
• 機能のキーワード: hot dog fold, long-chain fatty acyl-coa thioesterase, acyl carrier protein, mycobacterium tuberculosis, hydrolase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20749.80

構造登録者

Maity, K.,Suguna, K. (登録日: 2011-06-26, 公開日: 2012-06-06, 最終更新日: 2024-10-30)

主引用文献

Maity, K.,Bajaj, P.,Surolia, N.,Surolia, A.,Suguna, K.
Insights into the substrate specificity of a thioesterase Rv0098 of mycobacterium tuberculosis through X-ray crystallographic and molecular dynamics studies.
J.Biomol.Struct.Dyn., 29:973-983, 2012

PubMed Abstract: The crystal structure of Rv0098, a long-chain fatty acyl-CoA thioesterase from Mycobacterium tuberculosis with bound dodecanoic acid at the active site provided insights into the mode of substrate binding but did not reveal the structural basis of substrate specificities of varying chain length. Molecular dynamics studies demonstrated that certain residues of the substrate binding tunnel are flexible and thus modulate the length of the tunnel. The flexibility of the loop at the base of the tunnel was also found to be important for determining the length of the tunnel for accommodating appropriate substrates. A combination of crystallographic and molecular dynamics studies thus explained the structural basis of accommodating long chain substrates by Rv0098 of M. tuberculosis.

PubMed: 22292955
DOI: 10.1080/07391102.2012.10507417

実験手法

X-RAY DIFFRACTION (2.75 Å)