PPIRE15129

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 CKM peptide
Peptide_Sequence HLSKHPKFEEILTRLRLQ
Peptide_Length 18
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2245.66
Aliphatic_Index 108.33333
Aromaticity 0.05556
Average_Rotatable_Bonds 4.27778
Charge_at_pH_7 2.18276
Isoelectric_Point 10.77383
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 940.58000
X_logP_energy -6.29636
Interaction Information
Affinity KD=1.3 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Calmodulin complexes with brain and muscle creatine kinase peptides
Release_Year 2021
PMID 34235492
DOI 10.1016/j.crstbi.2021.05.001