Structure of PDB 2ym7 Chain A

Receptor sequence
>2ym7A (length=248) Species: 9606 (Homo sapiens) [Search protein sequence]
EDWDLVQTLGEVQLAVNRVTEEAVAVKIVNIKKEICINKMLNHENVVKFY
GHRREIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHG
IGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPY
VAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKE
KKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK
3D structure
PDB2ym7 Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
ChainA
Resolution1.81 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) D107 K109 E111 N112 D125 T147
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 YM7 A L15 A36 K38 L84 E85 Y86 C87 E91 E134 L137 S147 D148 L9 A25 K27 L61 E62 Y63 C64 E68 E111 L114 S124 D125 MOAD: ic50=0.13uM
PDBbind-CN: -logKd/Ki=6.89,IC50=0.13uM
BindingDB: IC50=130nM
BS02 YM7 A W9 E33 Y71 R74 F83 W3 E22 Y50 R53 F60 MOAD: ic50=0.13uM
PDBbind-CN: -logKd/Ki=6.89,IC50=0.13uM
BindingDB: IC50=130nM
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:2ym7, PDBe:2ym7, PDBj:2ym7
PDBsum2ym7
PubMed22111927
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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