PPIRE11392

Target Protein Information
Protein_Name Serine/threonine-protein kinase pim-1
Protein_Sequence MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHSLSPGPSK
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Cytoplasm
Gene_Names PIM1
UniProt_ID P11309
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Pimtide
Peptide_Sequence ARKRRRHPSGPPTA
Peptide_Length 14
Peptide_SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)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 1586.82
Aliphatic_Index 14.28571
Aromaticity 0.00000
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 5.08859
Isoelectric_Point 12.98095
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 758.01000
X_logP_energy -10.58852
Interaction Information
Affinity KD=5 uM
Affinity_Assay fluorescence correlation spectroscopy
PDB_ID 2BIL
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title A novel Pim-1 kinase inhibitor targeting residues that bind the substrate peptide.
Release_Year 2012
PMID 22306408
DOI 10.1016/j.jmb.2012.01.036