PPIRE00306

Target Protein Information
Protein_Name Envelope glycoprotein gp160
Protein_Sequence MRVKEKYQHLWRWGWRWGTMLLGMLMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLDIIPIDNDTTSYKLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTRPNNNTRKRIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAIRHIPRRIRQGLERILL
Organism_Source Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Functional_Classification Viral envelope proteins
Cellular_Localization Plasma membrane
Gene_Names env
UniProt_ID P04578
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PIE2
Peptide_Sequence kGacdypewrwlcaa
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method c4<->c13; Side chain cyclization; Disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1769.03
Aliphatic_Index 46.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.40000
Charge_at_pH_7 -0.12489
Isoelectric_Point 6.21902
Hydrogen_Bond_Acceptors 23
Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 676.26000
X_logP_energy -3.58343
Interaction Information
Affinity KD=0.78 nM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Potent D-peptide inhibitors of HIV-1 entry.
Release_Year 2007
PMID 17942675
DOI 10.1073/pnas.0708109104