Structure of PDB 2wmx Chain A

Receptor sequence
>2wmxA (length=248) Species: 9606 (Homo sapiens) [Search protein sequence]
EDWDLVQTLGEVQLAVNRVTEEAVAVKIVDMNIKKEICINKMLNHENVVK
FYGHRREIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYL
HGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTL
PYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDW
KEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPL
3D structure
PDB2wmx Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
ChainA
Resolution2.45 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) D109 K111 E113 N114 D127 T149
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 ZY6 A V23 C87 E91 L137 V12 C66 E70 L116 MOAD: ic50=0.86uM
PDBbind-CN: -logKd/Ki=6.07,IC50=0.86uM
BindingDB: IC50=890nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2wmx, PDBe:2wmx, PDBj:2wmx
PDBsum2wmx
PubMed19572549
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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