PPIRE18395

Target Protein Information
Protein_Name Envelope glycoprotein gp160
Protein_Sequence MTVTMKVMKKNNRKSWSLYIAMALLIPCLSYSKQLYATVYSGVPVWEEAAPVLFCASDANLTSTEQHNIWASQACVPTDPNPHEFPLGNVTDNFDIWKNYMVDQMHEDIISLWEQSLKPCEKMTFLCVQMNCVDLQTNKTGLLNETINEMRNCSFNVTTVLTDKKEQKQALFYVSDLSKVNDSNAVNGTTYMLTNCNSTIIKQACPKVSFEPIPIHYCAPTGYAIFKCNDTDFNGTGLCHNISVVTCTHGIKPTVSTQLILNGTLSREKIRIMGKNITESAKNIIVTLNTPINMTCIREGIAEVQDIYTGPMRWRSMTLKRSNNTSPRSRVAYCTYNKTVWENALQQTAIRYLNLVNQTENVTIIFSRTSGGDAEVSHLHFNCHGEFFYCNTSGMFNYTFINCTKSGCQEIKGSNETNKNGTIPCKLRQLVRSWMKGESRIYAPPIPGNLTCHSNITGMILQLDQPWNSTGENTLRPVGGDMKDIWRTKLYNYKVVQIKPFSVAPTKMSRPIINIHTPHREKRAVGLGMLFLGVLSAAGSTMGAAATALTVRTHSVLKGIVQQQDNLLRAIQAQQHLLRLSVWGIRQLRARLQALETLIQNQQRLNLWGCKGKLICYTSVKWNTSWSGRYNDDSIWDNLTWQQWDQHINNVSSIIYDEIQAAQDQQEKNVKALLELDEWASLWNWFDITKWLWYIKIAIIIVGALIGIRVIMIILNLVKNIRQGYQPLSLQIPVPHRQEAETPGRTGEEGGEGDRPKWTALPPGFLQQLYTDLRTIILWTYHLLSNLISGIRRLIDYLGLGLWILGQKTIEACRLCGAVMQYWLQELKNSATNLLDTIAVSVANWTDGIILGLQRIGQGFLHIPRRIRQGAERILV
Organism_Source Human immunodeficiency virus type 1 group O (isolate MVP5180)
Functional_Classification envelope glycoprotein
Cellular_Localization Extracellular
Gene_Names env
UniProt_ID Q79670
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ECL2S
Peptide_Sequence GSGSRSQKEGLHYTSSSHFPYSQYQFWKNFQTLKGSGS
Peptide_Length 38
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification biotin
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4300.63
Aliphatic_Index 20.52632
Aromaticity 0.18421
Average_Rotatable_Bonds 3.68421
Charge_at_pH_7 3.17814
Isoelectric_Point 10.11017
Hydrogen_Bond_Acceptors 65
Hydrogen_Bond_Donors 67
Topological_Polar_Surface_Area 1880.31000
X_logP_energy -25.53533
Interaction Information
Affinity KD=6 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions
Release_Year 2015
PMID 25703038
DOI 10.1111/febs.13243