Structure of PDB 4hyi Chain A

Receptor sequence
>4hyiA (length=269) Species: 9606 (Homo sapiens) [Search protein sequence]
VPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRCPENIKKE
ICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEP
DAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVF
RYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGE
LPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARIT
IPDIKKDRWYNKPLKKGAK
3D structure
PDB4hyi Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
ChainA
Resolution1.399 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) D125 K127 E129 N130 D143 T165
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 1AO A Y20 A36 K38 E85 Y86 C87 E91 E134 L137 D148 Y18 A34 K36 E80 Y81 C82 E86 E129 L132 D143 MOAD: ic50=3nM
PDBbind-CN: -logKd/Ki=8.52,IC50=3nM
BindingDB: EC50=750nM,IC50=2.0nM
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:4hyi, PDBe:4hyi, PDBj:4hyi
PDBsum4hyi
PubMed23535330
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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