PPIRE03336

Target Protein Information
Protein_Name GTPase KRas
Protein_Sequence MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligase adaptors
Cellular_Localization Plasma membrane
Gene_Names KRAS
UniProt_ID P01116
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name KRpep-2d
Peptide_Sequence RRRRCPLYISYDPVCRRRR
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)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](CCCNC(=N)N)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method C5<->C15, side chain cyclization, disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2522.00
Aliphatic_Index 56.31579
Aromaticity 0.10526
Average_Rotatable_Bonds 4.26316
Charge_at_pH_7 6.87275
Isoelectric_Point 12.02986
Number_of_Hydrogen_Bond_Acceptors 34
Number_of_Hydrogen_Bond_Donors 48
Topological_Polar_Surface_Area 1162.73000
X_logP_energy -11.78534
Interaction Information
Affinity IC50=1.6 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title K-Ras(G12D)-selective inhibitory peptides generated by random peptide T7 phage display technology.
Release_Year 2017
PMID 28153726
DOI 10.1016/j.bbrc.2017.01.147