Structure of PDB 8c6l Chain A Binding Site BS01

Receptor Information
>8c6l Chain A (length=328) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSE
VFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVK
DPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGI
MHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPEL
LVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTE
DLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLD
KLLRYDHQSRLTAREAMEHPYFYTVVKD
Ligand information
Ligand IDTO6
InChIInChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+
InChIKeyWCAKSXQRFBVWDG-RUDMXATFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(ccc1O)\C=C(/C#N)c2[nH]nc(N)c2C#N
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)/C=C(\C#N)/c2c(c(n[nH]2)N)C#N
CACTVS 3.385COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C=C(C#N)c2c(c(n[nH]2)N)C#N
FormulaC14 H11 N5 O2
Name5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile
ChEMBL
DrugBank
ZINC
PDB chain8c6l Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8c6l Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L45 V53 V66 K68 F113 V116 I174 D175
Binding residue
(residue number reindexed from 1)		L43 V51 V64 K66 F111 V114 I172 D173
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8c6l, PDBe:8c6l, PDBj:8c6l
PDBsum8c6l
PubMed
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

[Back to BioLiP]