Structure of PDB 5xs2 Chain A

Receptor sequence
>5xs2A (length=366) Species: 9606 (Homo sapiens) [Search protein sequence]
MEFMDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDK
DYALKQIEGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLF
DYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWV
LHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTF
WYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPY
HHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYM
EKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFA
GCQIPYPKREFLTEEE
3D structure
PDB5xs2 Discovery of potent and selective CDK8 inhibitors through FBDD approach
ChainA
Resolution2.04 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D151 K153 N156 D173 N181 T196
Catalytic site (residue number reindexed from 1) D154 K156 N159 D176 N184 T199
Enzyme Commision number 2.7.11.22: cyclin-dependent kinase.
2.7.11.23: [RNA-polymerase]-subunit 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 8D6 A Y32 V35 A50 K52 F97 Y99 A100 L158 D173 Y35 V38 A53 K55 F100 Y102 A103 L161 D176 PDBbind-CN: -logKd/Ki=8.30,IC50=0.005uM
BindingDB: IC50=5nM
Gene Ontology
Molecular Function
GO:0004672 protein 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:5xs2, PDBe:5xs2, PDBj:5xs2
PDBsum5xs2
PubMed28802632
UniProtP49336|CDK8_HUMAN Cyclin-dependent kinase 8 (Gene Name=CDK8)

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