6F7X
Crystal structure of dimethylated RSL - cucurbit[7]uril complex, F432 form
Summary for 6F7X
| Entry DOI | 10.2210/pdb6f7x/pdb |
| Related | 6F7W 6F7Y |
| Descriptor | Fucose-binding lectin protein, methyl alpha-L-fucopyranoside, cucurbit[7]uril, ... (5 entities in total) |
| Functional Keywords | cucurbituril, dimethyllysine, supramolecular recognition, sugar binding protein |
| Biological source | Ralstonia solanacearum (Pseudomonas solanacearum) |
| Total number of polymer chains | 3 |
| Total formula weight | 33015.38 |
| Authors | Guagnini, F.,Rennie, M.L.,Crowley, P.B. (deposition date: 2017-12-12, release date: 2018-05-30, Last modification date: 2024-01-17) |
| Primary citation | Guagnini, F.,Antonik, P.M.,Rennie, M.L.,O'Byrne, P.,Khan, A.R.,Pinalli, R.,Dalcanale, E.,Crowley, P.B. Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein. Angew. Chem. Int. Ed. Engl., 57:7126-7130, 2018 Cited by PubMed Abstract: Here, we provide the first structural characterization of host-guest complexation between cucurbit[7]uril (Q7) and dimethyllysine (KMe ) in a model protein. Binding was dominated by complete encapsulation of the dimethylammonium functional group. While selectivity for the most sterically accessible dimethyllysine was observed both in solution and in the solid state, three different modes of Q7-KMe complexation were revealed by X-ray crystallography. The crystal structures revealed also entrapped water molecules that solvated the ammonium group within the Q7 cavity. Remarkable Q7-protein assemblies, including inter-locked octahedral cages that comprise 24 protein trimers, occurred in the solid state. Cucurbituril clusters appear to be responsible for these assemblies, suggesting a strategy to generate controlled protein architectures. PubMed: 29673020DOI: 10.1002/anie.201803232 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.42 Å) |
Structure validation
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