4YGW
RNase S in complex with stabilized S peptide
Summary for 4YGW
| Entry DOI | 10.2210/pdb4ygw/pdb |
| Descriptor | S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, Ribonuclease A C2, 1-hydroxypropan-2-one, ... (5 entities in total) |
| Functional Keywords | rnase, unnatural amino acids, side chain link, hydrolase |
| Biological source | Bos taurus (Bovine) More |
| Total number of polymer chains | 2 |
| Total formula weight | 13520.16 |
| Authors | Assem, N.,Ferreira, D.,Wolan, D.W.,Dawson, P.E. (deposition date: 2015-02-26, release date: 2015-07-01, Last modification date: 2024-04-03) |
| Primary citation | Assem, N.,Ferreira, D.J.,Wolan, D.W.,Dawson, P.E. Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling. Angew.Chem.Int.Ed.Engl., 54:8665-8668, 2015 Cited by PubMed Abstract: Macrocyclization is a broadly applied approach for overcoming the intrinsically disordered nature of linear peptides. Herein, it is shown that dichloroacetone (DCA) enhances helical secondary structures when introduced between peptide nucleophiles, such as thiols, to yield an acetone-linked bridge (ACE). Aside from stabilizing helical structures, the ketone moiety embedded in the linker can be modified with diverse molecular tags by oxime ligation. Insights into the structure of the tether were obtained through co-crystallization of a constrained S-peptide in complex with RNAse S. The scope of the acetone-linked peptides was further explored through the generation of N-terminus to side chain macrocycles and a new approach for generating fused macrocycles (bicycles). Together, these studies suggest that acetone linking is generally applicable to peptide macrocycles with a specific utility in the synthesis of stabilized helices that incorporate functional tags. PubMed: 26096515DOI: 10.1002/anie.201502607 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.18 Å) |
Structure validation
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