PPIRE13209

Target Protein Information
Protein_Name Protein S100-A10
Protein_Sequence MPSQMEHAMETMMFTFHKFAGDKGYLTKEDLRVLMEKEFPGFLENQKDPLAVDKIMKDLDQCRDGKVGFQSFFSLIAGLTIACNDYFVVHMKQKGKK
Organism_Source Homo sapiens
Functional_Classification S100 proteins
Cellular_Localization Plasma membrane
Gene_Names S100A10
UniProt_ID P60903
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AHNAK(5654-5673)peptide
Peptide_Sequence GKVTFPKMKIPSFTPSDSSG
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2111.44
Aliphatic_Index 34.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.30000
Charge_at_pH_7 1.99755
Isoelectric_Point 10.50692
Number_of_Hydrogen_Bond_Acceptors 32
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 826.59000
X_logP_energy -10.07600
Interaction Information
Affinity KD=30 nM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 4FTG
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structure of a C-terminal AHNAK peptide in a 1:2:2 complex with S100A10 and an acetylated N-terminal peptide of annexin A2.
Release_Year 2013
PMID 23275167
DOI 10.1107/S0907444912043429