8R3B

Cocrystal form I of the Pent - sulfonato-calix[8]arene complex

Summary for 8R3B

• Entry DOI: 10.2210/pdb8r3b/pdb
• Related: 8R3C 8R3D
• Descriptor: Beta propeller, sulfonato-calix[8]arene, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... (4 entities in total)
• Functional Keywords: complex, beta propeller, mutivalent, synthetic construct, sugar binding protein
• Biological source: Enterobacteria phage L1
• Total number of polymer chains: 5
• Total formula weight: 29235.42

Authors

Flood, R.J.,Crowley, P.B. (deposition date: 2023-11-08, release date: 2024-03-06)

Primary citation

Flood, R.J.,Cerofolini, L.,Fragai, M.,Crowley, P.B.
Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25:1303-1309, 2024

PubMed Abstract: We describe complex formation between a designed pentameric β-propeller and the anionic macrocycle sulfonato-calix[8]arene (), as characterized by X-ray crystallography and NMR spectroscopy. Two crystal structures and N HSQC experiments reveal a single calixarene binding site in the concave pocket of the β-propeller toroid. Despite the symmetry mismatch between the pentameric protein and the octameric macrocycle, they form a high affinity multivalent complex, with the largest protein-calixarene interface observed to date. This system provides a platform for investigating multivalency.

PubMed: 38227741
DOI: 10.1021/acs.biomac.3c01280

Experimental method

X-RAY DIFFRACTION (1.66 Å)