PPIRE13234

Target Protein Information
Protein_Name Cyclin-dependent kinase 4
Protein_Sequence MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Nucleus
Gene_Names CDK4
UniProt_ID P11802
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p21(141-160)peptide
Peptide_Sequence KRRQTSMTDFYHSKRRLIFS
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2557.96
Aliphatic_Index 39.00000
Aromaticity 0.15000
Average_Rotatable_Bonds 4.40000
Charge_at_pH_7 5.08789
Isoelectric_Point 12.08412
Number_of_Hydrogen_Bond_Acceptors 37
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1146.31000
X_logP_energy -12.35592
Interaction Information
Affinity IC50=24 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural and biochemical studies of human proliferating cell nuclear antigen complexes provide a rationale for cyclin association and inhibitor design.
Release_Year 2005
PMID 15681588
DOI 10.1073/pnas.0406540102