6YZH

Crystal structure of P8C9 bound to CK2alpha

Summary for 6YZH

Entry DOI	10.2210/pdb6yzh/pdb
Descriptor	Casein kinase II subunit alpha, P8C9, MAGNESIUM ION, ... (7 entities in total)
Functional Keywords	btk, covalent fragments, surface entrophy reduction, crystal engineering, transferase
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	48467.88
Authors	Atkinson, E.,Iegre, J.,Brear, P.,Baker, D.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2020-05-07, release date: 2021-05-19, Last modification date: 2024-07-10)
Primary citation	Atkinson, E.L.,Iegre, J.,D'Amore, C.,Brear, P.,Salvi, M.,Hyvonen, M.,Spring, D.R. Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58:4791-4794, 2022 Cited by PubMed Abstract: In this work, an iterative cycle of enzymatic assays, X-ray crystallography, molecular modelling and cellular assays were used to develop a functionalisable chemical probe for the CK2α/β PPI. The lead peptide, P8C9, successfully binds to CK2α at the PPI site, is easily synthesisable and functionalisable, highly stable in serum and small enough to accommodate further optimisation. PubMed: 35343996 DOI: 10.1039/d2cc00707j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.19 Å)

Structure validation