4rpn

PcpR inducer binding domain complex with pentachlorophenol

spinqualitylabelsall models 4rpn, resolution 2.27Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4rpn is a 4 chain structure with sequence from Sphingobium chlorophenolicum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.272Å Ligands: PCI Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function PCPR_SPHCR Transcriptional activator for the pcpA, pcpB and pcpE genes for pentachlorophenol (PCP) degradation. Essential for PCP degradation. Publication Abstract from PubMed 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 muM) 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. Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.,Hayes RP, Moural TW, Lewis KM, Onofrei D, Xun L, Kang C Int J Mol Sci. 2014 Nov 12;15(11):20736-52. doi: 10.3390/ijms151120736. PMID:25397598 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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