6z5w

The RSL - sulfonato-calix[8]arene complex, P213 form, MES pH 6.8

spinqualitylabelsall models 6z5w, resolution 1.19Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6z5w is a 1 chain structure with sequence from Ralstonia solanacearum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.187Å Ligands: BDF, EVB, SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A0A0S4TLR1_RALSL Publication Abstract from PubMed Precisely defined protein aggregates, as exemplified by crystals, have applications in functional materials. Consequently, engineered protein assembly is a rapidly growing field. Anionic calix[n]arenes are useful scaffolds that can mold to cationic proteins and induce oligomerization and assembly. Here, we describe protein-calixarene composites obtained via cocrystallization of commercially available sulfonato-calix[8]arene (sclx8) with the symmetric and "neutral" protein RSL. Cocrystallization occurred across a wide range of conditions and protein charge states, from pH 2.2-9.5, resulting in three crystal forms. Cationization of the protein surface at pH approximately 4 drives calixarene complexation and yielded two types of porous frameworks with pore diameters >3 nm. Both types of framework provide evidence of protein encapsulation by the calixarene. Calixarene-masked proteins act as nodes within the frameworks, displaying octahedral-type coordination in one case. The other framework formed millimeter-scale crystals within hours, without the need for precipitants or specialized equipment. NMR experiments revealed macrocycle-modulated side chain pKa values and suggested a mechanism for pH-triggered assembly. The same low pH framework was generated at high pH with a permanently cationic arginine-enriched RSL variant. Finally, in addition to protein framework fabrication, sclx8 enables de novo structure determination. Facile Fabrication of Protein-Macrocycle Frameworks.,Ramberg KO, Engilberge S, Skorek T, Crowley PB J Am Chem Soc. 2021 Feb 3;143(4):1896-1907. doi: 10.1021/jacs.0c10697. Epub 2021 , Jan 20. PMID:33470808 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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