Structure of PDB 1dkt Chain A Binding Site BS01

Receptor Information
>1dkt Chain A (length=72) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIYYSDKYDDEEFEYRHVMLPKDIAKLVPKTHLMSESEWRNLGVQQSQGW
VHYMIHEPEPHILLFRRPLPKK
Ligand information
Ligand IDV7O
InChIInChI=1S/19O.7V
InChIKeyCTUXFMMCMPZRLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O=[V](=O)[O@@]([V](=O)(=O)=O)[V](=O)(=O)O[V](=O)(=O)O[V](=O)O([V](=O)=O)[V](=O)(=O)=O
CACTVS 3.385O=[V]O[V](=O)(=O)O[V](=O)(=O)O[V](=O)=O.O=[V](=O)O[V](=O)(=O)=O.O=[V](=O)=O
OpenEye OEToolkits 2.0.7O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)O([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O
FormulaO19 V7
NameMETA VANADATE
ChEMBL
DrugBank
ZINC
PDB chain1dkt Chain A Residue 100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dkt Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K11 R20 S51 W54 R71
Binding residue
(residue number reindexed from 1)		K7 R16 S47 W50 R67
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016538 cyclin-dependent protein serine/threonine kinase regulator activity
GO:0019901 protein kinase binding
GO:0042393 histone binding
GO:0043130 ubiquitin binding
GO:0061575 cyclin-dependent protein serine/threonine kinase activator activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0007346 regulation of mitotic cell cycle
GO:0044772 mitotic cell cycle phase transition
GO:0048144 fibroblast proliferation
GO:0051301 cell division
Cellular Component
GO:0000307 cyclin-dependent protein kinase holoenzyme complex
GO:0005654 nucleoplasm
GO:0019005 SCF ubiquitin ligase complex

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1dkt, PDBe:1dkt, PDBj:1dkt
PDBsum1dkt
PubMed7791211
UniProtP61024|CKS1_HUMAN Cyclin-dependent kinases regulatory subunit 1 (Gene Name=CKS1B)

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