The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring

The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... Authors: Hilario, E, Dunn, M.F, Mueller, L.J. Deposit date: 2020-08-18 Release date: 2021-08-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.64 Å) Cite: The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published

本数据集为鼠伤寒沙门氏菌（Salmonella typhimurium）色氨酸合酶（Tryptophan Synthase）β亚基S377A突变体的外部醛亚胺晶体结构，该蛋白与结合于α位点（alpha-site）的F9抑制剂、以及金属配位位点（metal coordination site）的铯离子形成复合物。其中β亚基Q114仅存在一种旋转异构构象（rotamer），可与环上3号位的磷酸吡哆醛（PLP）氧原子形成氢键。
配体描述：(E)-N-({3-羟基-2-甲基-5-[(膦酰氧基)甲基]吡啶-4-基}亚甲基)-L-丝氨酸、1,2-乙二醇、2-({[4-(三氟甲氧基)苯基]磺酰基}氨基)乙基二氢磷酸酯……
作者：Hilario E、Dunn M.F.、Mueller L.J.
沉积日期：2020-08-18
发布日期：2021-08-25
最后修改日期：2023-10-18
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.64 Å
引用说明：本数据集对应的晶体结构为鼠伤寒沙门氏菌色氨酸合酶β亚基S377A突变体的外部醛亚胺晶体结构，该突变体与结合于α位点的F9抑制剂、以及金属配位位点的铯离子形成复合物。其中β亚基Q114仅存在一种旋转异构构象，可与环上3号位的PLP氧原子形成氢键。待发表。