Structure of PDB 5oot Chain A

Receptor sequence
>5ootA (length=260) Species: 9606 (Homo sapiens) [Search protein sequence]
PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMENIKKEICILK
MLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRF
FHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNR
ERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQ
PSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIK
KDRWYNKPLK
3D structure
PDB5oot Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
ChainA
Resolution2.1 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 H134 N135 D148 T170
Catalytic site (residue number reindexed from 1) D120 K122 H124 N125 D138 T160
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 4K4 A T14 V23 A36 M84 L86 A87 G90 L137 T11 V20 A33 M74 L76 A77 G80 L127 MOAD: Ki=0.0285uM
PDBbind-CN: -logKd/Ki=7.55,Ki=0.0285uM
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:5oot, PDBe:5oot, PDBj:5oot
PDBsum5oot
PubMed29023112
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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