Brand  (β version)

PDB ID: 4BDE

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Ligands
Code Name Style Show Link
CWS 6-methylquinazolin-4-amine PoSSuM
EDO 1,2-ethanediol PoSSuM
NO3 Nitrate ion PoSSuM
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Structure summary

Code : 4BDE   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Release Data : 2013-06-26
Compound :
mol_id molecule chains synonym
1 SERINE/THREONINE-PROTEIN KINASE CHK2 A CHK2 CHECKPOINT HOMOLOG, CDS1 HOMOLOG, HUCDS1, HCDS1, CHECKPOINT KINASE 2
ec: 2.7.11.1
fragment: KINASE DOMAIN, RESIDUES 210-531
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: ROSETTA2 PLYSS
expression_system_vector_type: PLASMID
expression_system_plasmid: PTHREE-E
Authors : Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.
Keywords : TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.55 Å )
Citation :

Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.

Silva-Santisteban, M.C.,Westwood, I.M.,Boxall, K.  et al.
(2013)  Plos One  8 : 65689

PubMed: 23776527
DOI: 10.1371/JOURNAL.PONE.0065689

Reaction

Chain : A
UniProt : O96017 (CHK2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 -
-