9I1N

The MK-RSL - sulfato-terphen[3]arene complex, P63 form, citrate pH 4.0

This is a non-PDB format compatible entry.

Summary for 9I1N

• Entry DOI: 10.2210/pdb9i1n/pdb
• Descriptor: Fucose-binding lectin protein, sulfato-terphen[3]arene complex, beta-D-fructopyranose, ... (4 entities in total)
• Functional Keywords: beta-propeller, enzyme, lectin, fucose-binding, sugar binding protein
• Biological source: Ralstonia solanacearum
• Total number of polymer chains: 1
• Total formula weight: 12146.87

Authors

Ifeagwu, M.C.,Mockler, N.M.,Crowley, P.B. (deposition date: 2025-01-16, release date: 2025-07-02, Last modification date: 2025-07-16)

Primary citation

Ifeagwu, M.C.,Guo, L.,Mockler, N.M.,Dong, M.,Li, C.,Crowley, P.B.
N‐Terminal Protein Complexation and Assembly with a Triangular Sulfated Macrocycle.
Cryst.Growth Des., 25:4661-4665, 2025

PubMed Abstract: We report two cocrystal structures of a mutant lectin (RSL) in complex with the recently described sulfated terphen[3]-arene (). This triangular macrocycle bearing 12 sulfates exhibits interesting protein-binding modes including methionine encapsulation and insertion between surface-exposed loops. These two binding modes facilitate the overall crystal packing, which may benefit from the macrocycle rigidity. In addition to a promising tool for protein assembly and crystallization, the data have implications for lectin-heparan sulfate interactions.

PubMed: 40625787
DOI: 10.1021/acs.cgd.5c00290

Experimental method

X-RAY DIFFRACTION (1.7 Å)