Structure of PDB 2ydk Chain A

Receptor sequence
>2ydkA (length=263) Species: 9606 (Homo sapiens) [Search protein sequence]
VPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRENIKKEIC
INKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDA
QRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRY
NNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELP
WDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIP
DIKKDRWYNKPLK
3D structure
PDB2ydk Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
ChainA
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D130 K132 E134 N135 D148 T170
Catalytic site (residue number reindexed from 1) D123 K125 E127 N128 D141 T163
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 YDK A L15 A36 E85 Y86 C87 G90 E134 N135 L137 D148 L13 A34 E78 Y79 C80 G83 E127 N128 L130 D141 MOAD: ic50=0.007uM
PDBbind-CN: -logKd/Ki=8.15,IC50=7nM
BindingDB: IC50=7nM,EC50=20nM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ydk, PDBe:2ydk, PDBj:2ydk
PDBsum2ydk
PubMed22551018
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

[Back to BioLiP]