PPIRE16402

Target Protein Information
Protein_Name Envelope glycoprotein gp160
Protein_Sequence MRVKGIRKNYQHLWRGGTLLLGMLMICSAVEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIVLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLHCTNLENATNTTSSNWKEMNRGEIKNCSFNVTTSIGNKMQKEYALFYKLDVVPIDNDNTSYNLINCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGSGPCINVSTVQCTHGIRPVVSTQLLLNGSLAEEGVVIRSENFTDNVKTIVVQLKESVEINCTRPNNNTRKSIPIGPGKAFYATGDIIGDIRQAHCNISGEKWNNTLKQIVTKLQAQFENKTIVFKQSSGGDPEIVMHSFNCGGEFFYCNSTQLFNSTWNNTIGPNNTNGTITLPCRIKQIINRWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGREVSNTTEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVTLGAVFLGFLGAAGSTMGAASLTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLDQIWNNMTWMEWEREIGNYTNLIYTLIEESQNQQEKNEQELLELDKWASLWNWFDISKWLWYIKIFIMIVGGLVGLRIVFTVLSIVNRVRQGYSPLSFQTRFPAPRGLDRPEGIEEEGGERDRDRSRPLVHGLLALIWDDLRSLCLFSYHRLRDLILIAARIVELLGRRGWEALKYWGNLLQYWIQELKNSAVSLFGAIAIAVAEGTDRIIEVAQRIGRAFLHIPRRIRQGLERTLL
Organism_Source Simian-Human immunodeficiency virus 1
Functional_Classification envelope glycoproteins
Cellular_Localization Extracellular
Gene_Names env
UniProt_ID A0A0B4Q642
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HbAHP-25
Peptide_Sequence AHKLRVDPVNCKLLSHCLLVTLARH
Peptide_Length 25
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2837.44
Aliphatic_Index 136.40000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.72000
Charge_at_pH_7 3.14661
Isoelectric_Point 9.75966
Number_of_Hydrogen_Bond_Acceptors 39
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1135.66000
X_logP_energy -8.91116
Interaction Information
Affinity IC50=35.7 uM
Affinity_Assay luciferase reporter assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title HbAHP-25 an In-Silico Designed Peptide Inhibits HIV-1 Entry by Blocking gp120 Binding to CD4 Receptor
Release_Year 2015
PMID 25915507
DOI 10.1371/journal.pone.0124839