1ZYU

Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution

1ZYU の概要

• エントリーDOI: 10.2210/pdb1zyu/pdb
• 関連するPDBエントリー: 1L4U 1L4Y 1U8A 1WE2
• 分子名称: Shikimate kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ... (4 entities in total)
• 機能のキーワード: shikimate pathway; shikimate kinase; ternary complex; drug design, siganling protein, transferase
• 由来する生物種: Mycobacterium tuberculosis
• 細胞内の位置: Cytoplasm (Probable): P0A4Z2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19291.71

構造登録者

Gan, J.H.,Gu, Y.J.,Li, Y.,Yan, H.G.,Ji, X. (登録日: 2005-06-11, 公開日: 2006-07-11, 最終更新日: 2023-08-30)

主引用文献

Gan, J.H.,Gu, Y.J.,Li, Y.,Yan, H.G.,Ji, X.
Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue
Biochemistry, 45:8539-8545, 2006

PubMed Abstract: Shikimate kinase (SK) and other enzymes in the shikimate pathway are potential targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs, because the pathway is essential in microorganisms, plants, and parasites but absent from mammals. SK catalyzes the reaction of phosphoryl transfer from ATP to shikimic acid (SA). Since 2002, a total of 11 SK structures have been reported, but none contains either the two substrate (SA and ATP) or the two product (SA-phosphate and ADP) molecules. Here, we present three crystal structures of SK from Mycobacterium tuberculosis (MtSK), including apo-MtSK, a binary complex MtSK x SA, and the ternary complex of MtSK with SA and an ATP analogue, AMPPCP. The structures of apo-MtSK and MtSK x AMPPCP x SA make it possible to elucidate the conformational changes of MtSK upon the binding of both substrates; the structure of MtSK x AMPPCP x SA reveals interactions between the protein and gamma-phosphate which indicate dynamic roles of catalytic residues Lys15 and Arg117.

PubMed: 16834327
DOI: 10.1021/bi0606290

実験手法

X-RAY DIFFRACTION (2.9 Å)