7PR5

Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex

Summary for 7PR5

• Entry DOI: 10.2210/pdb7pr5/pdb
• Related: 7PR2 7PR3 7PR4
• Descriptor: Fucose-binding lectin protein, beta-D-fructopyranose, ZINC ION, ... (6 entities in total)
• Functional Keywords: calixarene, molecular glue, metal binding, synthetic receptor, b-propeller, thiacalixarene, sugar binding protein
• Biological source: Ralstonia solanacearum (Pseudomonas solanacearum)
• Total number of polymer chains: 12
• Total formula weight: 122601.71

Authors

Flood, R.J.,Ramberg, K.,Guagnini, F.,Crowley, P.B. (deposition date: 2021-09-20, release date: 2022-03-02, Last modification date: 2024-01-31)

Primary citation

Flood, R.J.,Ramberg, K.O.,Mengel, D.B.,Guagnini, F.,Crowley, P.B.
Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22:3271-3276, 2022

PubMed Abstract: Controlled protein assembly provides a means to generate biomaterials. Synthetic macrocycles such as the water-soluble sulfonato-calix[n]arenes are useful mediators of protein assembly. Sulfonato-thiacalix[4]arene ( ), with its metal-binding capacity, affords the potential for simultaneous macrocycle- and metal-mediated protein assembly. Here, we describe the -/Zn-directed assembly of two proteins: cationic α-helical cytochrome (cyt ) and neutral β-propeller lectin (RSL). Two co-crystal forms were obtained with cyt , each involving multinuclear zinc sites supported by the cone conformation of . The /Zn cluster acted as an assembly node via both lysine encapsulation and metal-mediated protein-protein contacts. In the case of RSL, adopted the 1,2-alternate conformation and supported a dinuclear zinc site with concomitant encapsulation and metal-binding of two histidine side chains. These results, together with the knowledge of thiacalixarene/metal nanoclusters, suggest promising applications for thiacalixarenes in biomaterials and MOF fabrication.

PubMed: 35529063
DOI: 10.1021/acs.cgd.2c00108

Experimental method

X-RAY DIFFRACTION (1.94 Å)