Structure of PDB 4nst Chain A Binding Site BS03

Receptor Information

>4nst Chain A (length=323) Species: 9606 (Homo sapiens)

ESDWGKRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKE
GFPITAIREIKILRQLIHRSVVNMKEIVTDKQDGAFYLVFEYMDHDLMGL
LESGLVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQI
KLADFGLARLYNSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCG
CILGELFTKKPIFQANLELAQLELISRLCGSPCPAVWPDVIKLPYFNTMK
PKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDV
ELSKMAPPDLPHWQDCHELWSKK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4nst Chain A Residue 1103

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nst The structure and substrate specificity of human Cdk12/Cyclin K.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): N864 D877
• Binding residue (residue number reindexed from 1): N141 D154
• Annotation score: 1

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

External links

• PDB: RCSB:4nst, PDBe:4nst, PDBj:4nst
• PDBsum: 4nst
• PubMed: 24662513
• UniProt: Q9NYV4|CDK12_HUMAN Cyclin-dependent kinase 12 (Gene Name=CDK12)