PPIRE16199

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 A4Aib
Peptide_Sequence KETXAAKFERQHLDSG
Peptide_Length 16
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)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](C)NC(=O)[C@H](C)NC(=O)CNC(=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](CO)C(=O)NCC(=O)O
Chemical_Modification X4=u-aminoisobutyric acid
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1773.92
Aliphatic_Index 36.87500
Aromaticity 0.06250
Average_Rotatable_Bonds 3.87500
Charge_at_pH_7 0.09230
Isoelectric_Point 7.54974
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 837.89000
X_logP_energy -10.40833
Interaction Information
Affinity KD=2.63 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 1FEV
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural and thermodynamic consequences of introducing u-aminoisobutyric acid in the S peptide of ribonuclease S
Release_Year 2000
PMID 11112508
DOI 10.1093/protein/13.10.697