Structure of PDB 4lfi Chain A Binding Site BS03

Receptor Information
>4lfi Chain A (length=370) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCRVWSEARVYTNINKQRTEEYWDYENTVIDWSTNTKDYEIENKVGRGKY
SEVFQGVKLDSKVKIVIKMLKPVKKKKIKREIKILTDLSNEKVPPTTLPF
QKDQYYTNQKEDVLKFIRPYIFDQPHNGHANIIHLFDIIKDPISKTPALV
FEYVDNVDFRILYPKLTDLEIRFYMFELLKALDYCHSMGIMHRDVKPHNV
MIDHKNKKLRLIDWGLAEFYHVNMEYNVRVASRFFKGPELLVDYRMYDYS
LDLWSFGTMLASMIFKREPFFHGTSNTDQLVKIVKVLGTSDFEKYLLKYE
ITLPREFYDMDQYIRKPWHRFINDGNKHLSGNDEIIDLIDNLLRYDHQER
LTAKEAMGHPWFAPIREQIE
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4lfi Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lfi The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		R81 R194 N228
Binding residue
(residue number reindexed from 1)		R80 R193 N227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D195 K197 N200 D214 S233
Catalytic site (residue number reindexed from 1) D194 K196 N199 D213 S232
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:0005515 protein binding
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0000028 ribosomal small subunit assembly
GO:0006338 chromatin remodeling
GO:0006356 regulation of transcription by RNA polymerase I
GO:0006359 regulation of transcription by RNA polymerase III
GO:0006468 protein phosphorylation
GO:0006974 DNA damage response
GO:0007535 donor selection
GO:0016310 phosphorylation
GO:0030490 maturation of SSU-rRNA
GO:0042790 nucleolar large rRNA transcription by RNA polymerase I
GO:0051726 regulation of cell cycle
GO:0060962 regulation of ribosomal protein gene transcription by RNA polymerase II
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005829 cytosol
GO:0005956 protein kinase CK2 complex
GO:0032040 small-subunit processome
GO:0032545 CURI complex
GO:0034456 UTP-C complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lfi, PDBe:4lfi, PDBj:4lfi
PDBsum4lfi
PubMed24531484
UniProtP15790|CSK21_YEAST Casein kinase II subunit alpha (Gene Name=CKA1)

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