Structure of PDB 4md9 Chain I Binding Site BS01

Receptor Information
>4md9 Chain I (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDL
EPDEPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYCPR
VYCENQPMLPIGLSDIPGEAMVKLYCPKCMDVYTPKSSRHHHTDGAYFGT
GFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAASNF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4md9 Chain I Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4md9 Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		C109 C114 C137 C140
Binding residue
(residue number reindexed from 1)		C98 C103 C126 C129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0004674 protein serine/threonine kinase activity
GO:0005102 signaling receptor binding
GO:0005515 protein binding
GO:0019887 protein kinase regulator activity
GO:0019904 protein domain specific binding
GO:0030674 protein-macromolecule adaptor activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0061629 RNA polymerase II-specific DNA-binding transcription factor binding
Biological Process
GO:0007165 signal transduction
GO:0008285 negative regulation of cell population proliferation
GO:0016055 Wnt signaling pathway
GO:0018107 peptidyl-threonine phosphorylation
GO:0032435 negative regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0032927 positive regulation of activin receptor signaling pathway
GO:0033211 adiponectin-activated signaling pathway
GO:0043537 negative regulation of blood vessel endothelial cell migration
GO:0051101 regulation of DNA binding
GO:0060391 positive regulation of SMAD protein signal transduction
GO:0061154 endothelial tube morphogenesis
GO:0065003 protein-containing complex assembly
GO:0075342 symbiont-mediated disruption of host cell PML body
GO:1903901 negative regulation of viral life cycle
Cellular Component
GO:0000785 chromatin
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005956 protein kinase CK2 complex
GO:0016605 PML body
GO:0031519 PcG protein complex
GO:0034774 secretory granule lumen
GO:0070062 extracellular exosome
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4md9, PDBe:4md9, PDBj:4md9
PDBsum4md9
PubMed24175891
UniProtP67870|CSK2B_HUMAN Casein kinase II subunit beta (Gene Name=CSNK2B)

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