Structure of PDB 6ckx Chain A

Receptor sequence
>6ckxA (length=293) Species: 9606 (Homo sapiens) [Search protein sequence]
RCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITA
IREIKILRQLIHRSVVNMKEIVTDKGAFYLVFEYMDHDLMGLLESGLVHF
SEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLA
RLYNSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFT
KKPIFQANLELAQLELISRLCGSPCPAVWPDVIKLPYFNTMKPKKQYRRR
LREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDVE
3D structure
PDB6ckx Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D859 K861 N864 D877 S889 T898
Catalytic site (residue number reindexed from 1) D128 K130 N133 D146 S158 T167
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 MG A N864 D877 N133 D146
BS02 8M1 A I733 G734 A754 F813 M816 H818 D819 L866 I12 G13 A33 F82 M85 H87 D88 L135 PDBbind-CN: -logKd/Ki=7.89,IC50=0.013uM
BindingDB: IC50=13nM
Gene Ontology
Molecular Function
GO:0004672 protein 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:6ckx, PDBe:6ckx, PDBj:6ckx
PDBsum6ckx
PubMed30067358
UniProtQ9NYV4|CDK12_HUMAN Cyclin-dependent kinase 12 (Gene Name=CDK12)

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