PPIRE15640

Target Protein Information
Protein_Name Ribonuclease pancreatic
Protein_Sequence MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
Organism_Source Bos taurus
Functional_Classification endoribonucleases
Cellular_Localization Extracellular
Gene_Names RNASE1
UniProt_ID P61823
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name S-pep(6-15)H12F
Peptide_Sequence KETAACKFERQFMDCSTSAA
Peptide_Length 20
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)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 2224.51
Aliphatic_Index 20.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -0.12256
Isoelectric_Point 6.31096
Number_of_Hydrogen_Bond_Acceptors 35
Number_of_Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 966.07000
X_logP_energy -12.47553
Interaction Information
Affinity KD=1.9 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 2E3W
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Photocontrolling Protein-1eptide Interactions: From Minimal Perturbation to Complete Unbinding
Release_Year 2019
PMID 31184111
DOI 10.1021/jacs.9b03222