PPIRE13977

Target Protein Information
Protein_Name Calmodulin-1
Protein_Sequence MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
Organism_Source Homo sapiens
Functional_Classification EF-hand calcium-binding protein
Cellular_Localization Cytoplasm
Gene_Names CALM1
UniProt_ID P0DP23
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CaMBP2
Peptide_Sequence VSNAKRARAHWQLLYTLVNNPSLVGSR
Peptide_Length 27
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C)[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 3051.50
Aliphatic_Index 101.11111
Aromaticity 0.07407
Average_Rotatable_Bonds 3.62963
Charge_at_pH_7 4.08774
Isoelectric_Point 12.22714
Number_of_Hydrogen_Bond_Acceptors 42
Number_of_Hydrogen_Bond_Donors 48
Topological_Polar_Surface_Area 1340.83000
X_logP_energy -14.84089
Interaction Information
Affinity KD=0.9 nM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 5K8Q
Type Ion channel modulator
Structure
Reference Information
Document_Type Research Articles
Title Structure of the STRA6 receptor for retinol uptake.
Release_Year 2016
PMID 27563101
DOI 10.1126/science.aad8266