PPIRE15150

Target Protein Information
Protein_Name Calmodulin-1
Protein_Sequence MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
Organism_Source Homo sapiens
Functional_Classification calcium binding proteins
Cellular_Localization Cytoplasm
Gene_Names CALM1
UniProt_ID P0DP23
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name dahlein 5.6
Peptide_Sequence GLLASLGKVFGGYLAEKLKPK
Peptide_Length 21
Peptide_SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2189.67
Aliphatic_Index 116.19048
Aromaticity 0.09524
Average_Rotatable_Bonds 3.57143
Charge_at_pH_7 2.99773
Isoelectric_Point 10.48492
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 818.37000
X_logP_energy -4.38350
Interaction Information
Affinity KD=20 nM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural Analysis of Calmodulin Binding by nNOS Inhibitory Amphibian Peptides
Release_Year 2015
PMID 25436860
DOI 10.1021/bi5004124