Structure of PDB 3u9n Chain A

Receptor sequence
>3u9nA (length=257) Species: 9606 (Homo sapiens) [Search protein sequence]
EDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDENIKKEICINKMLNH
ENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQL
MAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLL
NKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDS
CQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRW
YNKPLKK
3D structure
PDB3u9n Discovery of a Novel Series of CHK1 Kinase Inhibitors with Distinctive Hinge Binding Mode
ChainA
Resolution1.85 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) D116 K118 E120 N121 D134 T156
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 09H A L15 Y20 A36 K38 E85 C87 E91 E134 L137 D148 K270 K271 L9 Y14 A30 K32 E71 C73 E77 E120 L123 D134 K256 K257 PDBbind-CN: -logKd/Ki=7.00,Kd<100nM
BindingDB: EC50=10000nM,IC50=75nM
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:3u9n, PDBe:3u9n, PDBj:3u9n
PDBsum3u9n
PubMed
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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