PPIRE03335

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-2
Peptide_Sequence RRCPLYISYDPVCRR
Peptide_Length 15
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](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)O)C(C)C
Chemical_Modification None
Cyclization_Method C3<->C13, side chain cyclization, disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1897.25
Aliphatic_Index 71.33333
Aromaticity 0.13333
Average_Rotatable_Bonds 3.80000
Charge_at_pH_7 2.87277
Isoelectric_Point 9.41791
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 798.73000
X_logP_energy -6.77762
Interaction Information
Affinity IC50=8.9 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