Structure of PDB 3ot8 Chain A

Receptor sequence
>3ot8A (length=251) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEDWDLVQTLGEGEVQLAVNRVTEEAVAVKIVDMNIKKEICINKMLNHE
NVVKFYGHRQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVY
LHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGT
LPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSD
WKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLK
K
3D structure
PDB3ot8 Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
ChainA
Resolution1.6455 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) D110 K112 E114 N115 D128 T150
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 MI5 A G16 A36 V68 Y86 C87 G90 E91 E134 L137 D148 K271 G12 A29 V53 Y66 C67 G70 E71 E114 L117 D128 K251 MOAD: ic50=0.009uM
PDBbind-CN: -logKd/Ki=8.05,IC50=9nM
BindingDB: IC50=9nM
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:3ot8, PDBe:3ot8, PDBj:3ot8
PDBsum3ot8
PubMed21094608
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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