4RNS

PcpR inducer binding domain (apo-form)

4RNS の概要

• エントリーDOI: 10.2210/pdb4rns/pdb
• 分子名称: PCP degradation transcriptional activation protein (2 entities in total)
• 機能のキーワード: lysr family transcriptional regulator, transcription
• 由来する生物種: Sphingobium chlorophenolicum
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 101419.56

構造登録者

Hayes, R.P.,Moural, T.W.,Lewis, K.M.,Onofrei, D.,Xun, L.,Kang, C. (登録日: 2014-10-25, 公開日: 2014-11-26, 最終更新日: 2023-09-20)

主引用文献

Hayes, R.P.,Moural, T.W.,Lewis, K.M.,Onofrei, D.,Xun, L.,Kang, C.
Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15:20736-20752, 2014

PubMed Abstract: PcpR is a LysR-type transcription factor from Sphingobium chlorophenolicum L-1 that is responsible for the activation of several genes involved in polychlorophenol degradation. PcpR responds to several polychlorophenols in vivo. Here, we report the crystal structures of the inducer-binding domain of PcpR in the apo-form and binary complexes with pentachlorophenol (PCP) and 2,4,6-trichlorophenol (2,4,6-TCP). Both X-ray crystal structures and isothermal titration calorimetry data indicated the association of two PCP molecules per PcpR, but only one 2,4,6-TCP molecule. The hydrophobic nature and hydrogen bonds of one binding cavity allowed the tight association of both PCP (Kd = 110 nM) and 2,4,6-TCP (Kd = 22.8 nM). However, the other cavity was unique to PCP with much weaker affinity (Kd = 70 μM) and thus its significance was not clear. Neither phenol nor benzoic acid displayed any significant affinity to PcpR, indicating a role of chlorine substitution in ligand specificity. When PcpR is compared with TcpR, a LysR-type regulator controlling the expression of 2,4,6-trichlorophenol degradation in Cupriavidus necator JMP134, most of the residues constituting the two inducer-binding cavities of PcpR are different, except for their general hydrophobic nature. The finding concurs that PcpR uses various polychlorophenols as long as it includes 2,4,6-trichlorophenol, as inducers; whereas TcpR is only responsive to 2,4,6-trichlorophenol.

PubMed: 25397598
DOI: 10.3390/ijms151120736

実験手法

X-RAY DIFFRACTION (2.7 Å)