Brand  (β version)

PDB ID: 5MMR

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Ligands
Code Name Style Show Link
H83 ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine PoSSuM
ACT Acetate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5MMR   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound
Release Data : 2017-05-24
Compound :
mol_id molecule chains synonym
1 Casein kinase II subunit alpha A,B CK II alpha
ec: 2.7.11.1
fragment: residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
mutation: R21S
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: CSNK2A1, CK2A1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pHAT4
Authors : Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Keywords : CK2alpha, CK2a, fragment based drug discovery, high concentration screening, selective ATP competitive inhibitors, surface entrophy reduction, transferase
Exp. method : X-RAY DIFFRACTION ( 2.0000 Å )
Citation :

A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.

De Fusco, C.,Brear, P.,Iegre, J.  et al.
(2017)  Bioorg. Med. Chem.  25 : 3471 - 3482

PubMed: 28495381
DOI: 10.1016/j.bmc.2017.04.037

Reaction

Chain : A, B
UniProt : P68400 (CSK21_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:20545769, PubMed:20625391, PubMed:21482717, PubMed:22184066, PubMed:23123191, PubMed:30699359, PubMed:30898438, PubMed:31439799
left-to-right PubMed:20545769, PubMed:21482717, PubMed:23123191, PubMed:30699359, PubMed:30898438, PubMed:31439799, PubMed:35597237
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:20625391, PubMed:22325354, PubMed:31439799
left-to-right PubMed:31439799