Brand  (β version)

PDB ID: 5OS8

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
ATP Adenosine-5'-triphosphate PoSSuM
DMS Dimethyl sulfoxide PoSSuM
J27 [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5OS8   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : The crystal structure of CK2alpha in complex with compound 11
Release Data : 2018-02-28
Compound :
mol_id molecule chains synonym
1 Casein kinase II subunit alpha A CK II alpha
ec: 2.7.11.1
fragment: residues 2-329
mutation: R21S, K74A, K75A, K76A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: CSNK2A1, CK2A1
expression_system_strain: #
expression_system_vector_type: Plasmid
expression_system_vector: pHAT2
Authors : Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., 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 ( 1.5500 Å )
Citation :

Second-generation CK2 alpha inhibitors targeting the alpha D pocket.

Iegre, J.,Brear, P.,De Fusco, C.  et al.
(2018)  Chem Sci  9 : 3041 - 3049

PubMed: 29732088
DOI: 10.1039/c7sc05122k

Reaction

Chain : A
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