Structure of PDB 6xx6 Chain A Binding Site BS01

Receptor Information
>6xx6 Chain A (length=329) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKARVYTEVNVIRPKDYWDYESLIVQWGEQDDYEVVRKVGRGKYSEVFE
GINVNSKEKCIIKILKPVKKKKIRREIKILQNLCGGPNIVKLLDVVRDQH
SKTPSLIFEYVNSTDFKVLYPTLTDYDIRYYIYELLKALDFCHSQGIMHR
DVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVD
LQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNQDQLVKIAKVLGTDELN
AYLNKYQLELDPQLEALVGRHSRKPWSKFINADNQHLVSPEAIDFLDKLL
RYDHQDRLTAKEAMAHAYFAQVRAAETSR
Ligand information
Ligand IDPIV
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKeyIUGYQRQAERSCNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)C(=O)O
ACDLabs 10.04O=C(O)C(C)(C)C
FormulaC5 H10 O2
NamePIVALIC ACID
ChEMBLCHEMBL322719
DrugBank
ZINCZINC000000007993
PDB chain6xx6 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xx6 Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Resolution1.8492 Å
Binding residue
(original residue number in PDB)		V48 K63 F108 D170 R329
Binding residue
(residue number reindexed from 1)		V48 K63 F108 D170 R329
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D151 K153 N156 D170 S189
Catalytic site (residue number reindexed from 1) D151 K153 N156 D170 S189
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6xx6, PDBe:6xx6, PDBj:6xx6
PDBsum6xx6
PubMed32254052
UniProtQ08467|CSK21_ARATH Casein kinase II subunit alpha-1 (Gene Name=CKA1)

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