PPIPT01441

Target Protein Information
Protein_Name GTPase KRas
Protein_Sequence MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
Organism_Source Homo sapiens
Functional_Classification Small GTPase (Ras family)
Cellular_Localization Plasma membrane
Gene_Names KRAS
UniProt_ID P01116
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SAH-SOS A
Peptide_Sequence EXGIYXTNILKTEEGNRR
Peptide_Length 18
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O
Chemical_Modification X4=C8 alkene; X8=C8 alkene
Cyclization_Method Main chain cyclization; X4<->X8; other bonds
Linear/Cyclic Linear
N-terminal_Modification FITC
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2007.19
Aliphatic_Index 65.00000
Aromaticity 0.05556
Average_Rotatable_Bonds 3.88889
Charge_at_pH_7 0.00216
Isoelectric_point 6.60365
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 966.61000
X_logP_energy -11.98556
Interaction Information
Affinity KD=19 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 3GFT
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title STABILIZED SOS1 PEPTIDES
Release_Year 2016
Patent_ID US20160046671A1