Structure of PDB 2c3j Chain A

Receptor sequence
>2c3jA (length=257) Species: 9606 (Homo sapiens) [Search protein sequence]
VEDWDLVQTLGEGEVQLAVNRVTEEAVAVKIVDMKRENIKKEICINKMLN
HENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQ
LMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERL
LNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSD
SCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDR
WYNKPLK
3D structure
PDB2c3j Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D130 K132 E134 N135 D148 T170
Catalytic site (residue number reindexed from 1) D117 K119 E121 N122 D135 T157
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 DBQ A V23 A36 K38 E85 Y86 C87 L137 S147 D148 V15 A28 K30 E72 Y73 C74 L124 S134 D135 MOAD: Ki=0.659uM
PDBbind-CN: -logKd/Ki=6.18,Ki=0.659uM
BindingDB: IC50=725nM
BS02 SO3 A K224 H243 K211 H230
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0000077 DNA damage checkpoint signaling
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2c3j, PDBe:2c3j, PDBj:2c3j
PDBsum2c3j
PubMed16289938
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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