PPIRE18001

Target Protein Information
Protein_Name Large envelope protein
Protein_Sequence MGHTQAKSTTDRRVEGGELLLQHLAGRMIPPEFSGPITTAGKFPTIQHVMDHIDSVEELRTLQAGGHWPEGTARRLGLDQPRPTPPPITWTEEEDKKAKEFFKQYQENRPKPAETAPPPITELHAAEPPQWKISPEDPLLKAKALIPVKEPEVPILKVPKLTNKKKMGATFGGILAGLIGLLVGFFLLTKILEILRKLDWWWISLSSPKEKMLCAFQNTGAQTSPHYVGSCPWGCPGFLWTYLRLFIIFLLLLLVAAGLLFLTENKSTIFEKLQWESVSALSSSIYSLLPSEPKSLVALTFGLFLIWTTSSSVTQVLVTLTQLATLSALFFKNSG
Organism_Source Heron hepatitis B virus
Functional_Classification viral envelope proteins
Cellular_Localization Extracellular
Gene_Names S
UniProt_ID P13847
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ETGAKPH
Peptide_Sequence CETGAKPHC
Peptide_Length 9
Peptide_SMILES C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<-->C9; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 945.08
Aliphatic_Index 11.11111
Aromaticity 0.00000
Average_Rotatable_Bonds 3.11111
Charge_at_pH_7 -0.03358
Isoelectric_Point 7.25383
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 399.56000
X_logP_energy -5.36580
Interaction Information
Affinity KD=2.9 nM
Affinity_Assay equilibrium binding assay in solution
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title A phage-displayed cyclic peptide that interacts tightly with the immunodominant region of hepatitis B surface antigen
Release_Year 2005
PMID 16087122
DOI 10.1016/j.jcv.2005.01.007