PPIRE13319

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 human eNOS CaM-binding domain peptide phosphorylated at Thr495
Peptide_Sequence TRKKXFKEVANAVKISASLM
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O
Chemical_Modification X5=phosphothreonine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2178.62
Aliphatic_Index 83.00000
Aromaticity 0.05000
Average_Rotatable_Bonds 3.90000
Charge_at_pH_7 3.99858
Isoelectric_Point 11.24819
Number_of_Hydrogen_Bond_Acceptors 32
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 923.28000
X_logP_energy -9.41453
Interaction Information
Affinity KD=0.3 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 2MG5
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Solution structure of calmodulin bound to the target peptide of endothelial nitric oxide synthase phosphorylated at Thr495.
Release_Year 2014
PMID 24495081
DOI 10.1021/bi401466s