Structure of PDB 4nst Chain A Binding Site BS02

Receptor Information
>4nst Chain A (length=323) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESDWGKRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKE
GFPITAIREIKILRQLIHRSVVNMKEIVTDKQDGAFYLVFEYMDHDLMGL
LESGLVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQI
KLADFGLARLYNSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCG
CILGELFTKKPIFQANLELAQLELISRLCGSPCPAVWPDVIKLPYFNTMK
PKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDV
ELSKMAPPDLPHWQDCHELWSKK
Ligand information
Ligand IDAF3
InChIInChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKeyKLZUFWVZNOTSEM-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al](F)F
FormulaAl F3
NameALUMINUM FLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain4nst Chain A Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4nst The structure and substrate specificity of human Cdk12/Cyclin K.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D859 K861 N864 D877
Binding residue
(residue number reindexed from 1)		D136 K138 N141 D154
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D859 K861 S863 N864 D877 S889 T898
Catalytic site (residue number reindexed from 1) D136 K138 S140 N141 D154 S166 T175
Enzyme Commision number 2.7.11.22: cyclin-dependent kinase.
2.7.11.23: [RNA-polymerase]-subunit kinase.
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:4nst, PDBe:4nst, PDBj:4nst
PDBsum4nst
PubMed24662513
UniProtQ9NYV4|CDK12_HUMAN Cyclin-dependent kinase 12 (Gene Name=CDK12)

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