Structure of PDB 2ym6 Chain A

Receptor sequence
>2ym6A (length=253) Species: 9606 (Homo sapiens) [Search protein sequence]
EDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMIKKEICINKMLNHE
NVVKFYGHRREIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAG
VVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKM
CGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQE
YSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNK
PLK
3D structure
PDB2ym6 Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
ChainA
Resolution2.01 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) D113 K115 E117 N118 D131 T153
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 YM6 A L15 V23 L84 E85 C87 E91 L137 L9 V17 L67 E68 C70 E74 L120 MOAD: ic50=0.88uM
PDBbind-CN: -logKd/Ki=6.06,IC50=0.88uM
BindingDB: IC50=880nM
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

View graph for
Biological Process
External links
PDB RCSB:2ym6, PDBe:2ym6, PDBj:2ym6
PDBsum2ym6
PubMed22111927
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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