PPIRE02207

Target Protein Information
Protein_Name Calmodulin-1
Protein_Sequence MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligase adaptors
Cellular_Localization Cytoplasm
Gene_Names CALM1
UniProt_ID P0DP23
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name rNaV1.4 IQ peptide
Peptide_Sequence KRKQEEVCAIKIQRAYRRHLLQRSVKQASYMYRHSQDG
Peptide_Length 38
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4662.38
Aliphatic_Index 64.21053
Aromaticity 0.07895
Average_Rotatable_Bonds 4.34211
Charge_at_pH_7 7.11807
Isoelectric_Point 10.91259
Number_of_Hydrogen_Bond_Acceptors 67
Number_of_Hydrogen_Bond_Donors 78
Topological_Polar_Surface_Area 2121.59000
X_logP_energy -22.41288
Interaction Information
Affinity KD=0.27 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 6MUE
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Crystal structures of Ca2+-calmodulin bound to NaV C-terminal regions suggest role for EF-hand domain in binding and inactivation.
Release_Year 2019
PMID 31072926
DOI 10.1073/pnas.1818618116