4X9R

PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B

Summary for 4X9R

• Entry DOI: 10.2210/pdb4x9r/pdb
• Related: 4X9V 4X9W 4o6w
• Descriptor: Serine/threonine-protein kinase PLK1, Phosphopeptide macrocycle 3B (3 entities in total)
• Functional Keywords: polo box domain phosphopeptide macrocycle inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 28247.26

Authors

Grant, R.A.,Qian, W.-J.,Yaffe, M.B.,Burke, T.R. (deposition date: 2014-12-11, release date: 2015-07-29, Last modification date: 2023-11-15)

Primary citation

Qian, W.J.,Park, J.E.,Grant, R.,Lai, C.C.,Kelley, J.A.,Yaffe, M.B.,Lee, K.S.,Burke, T.R.
Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104:663-673, 2015

PubMed Abstract: Our recently discovered, selective, on-resin route to N(τ)-alkylated imidazolium-containing histidine residues affords new strategies for peptide mimetic design. In this, we demonstrate the use of this chemistry to prepare a series of macrocyclic phosphopeptides, in which imidazolium groups serve as ring-forming junctions. Interestingly, these cationic moieties subsequently serve to charge-mask the phosphoamino acid group that directed their formation. Neighbor-directed histidine N(τ)-alkylation opens the door to new families of phosphopeptidomimetics for use in a range of chemical biology contexts.

PubMed: 26152807
DOI: 10.1002/bip.22698

Experimental method

X-RAY DIFFRACTION (1.398 Å)