4UB7

High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond

Summary for 4UB7

• Entry DOI: 10.2210/pdb4ub7/pdb
• Related: 1JWH
• Descriptor: Casein kinase II subunit alpha, 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: protein kinase ck2, atp-competitive inhibitors, halogen bond, 4'-carboxy-6, 8-bromo-flavonol, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 40613.14

Authors

Niefind, K.,Bischoff, N.,Guerra, B.,Golub, A.,Issinger, O.-G. (deposition date: 2014-08-12, release date: 2015-07-01, Last modification date: 2019-07-17)

• Primary citation: Guerra, B.,Bischoff, N.,Bdzhola, V.G.,Yarmoluk, S.M.,Issinger, O.G.,Golub, A.G.,Niefind, K.; A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.; Acs Chem.Biol., 10:1654-1660, 2015; PubMed: 25961323; DOI: 10.1021/acschembio.5b00235

Experimental method

X-RAY DIFFRACTION (2.1 Å)