PPIRE14113

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 glycoproteins
Cellular_Localization Extracellular
Gene_Names env
UniProt_ID Q79670
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name M48U1
Peptide_Sequence XNLHFCQLRCKSLGLLGRCApTXCACVN
Peptide_Length 28
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)[C@@H](C)O
Chemical_Modification X1=thiopropionic acid; X23=cyclohexylmethoxy phenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2935.51
Aliphatic_Index 87.14286
Aromaticity 0.03571
Average_Rotatable_Bonds 3.39286
Charge_at_pH_7 2.77872
Isoelectric_Point 8.51782
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 46
Topological_Polar_Surface_Area 1188.46000
X_logP_energy -14.65156
Interaction Information
Affinity KD=0.0154 nM
Affinity_Assay Surface plasmon resonance
PDB_ID 4JZZ
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for highly effective HIV-1 neutralization by CD4-mimetic miniproteins revealed by 1.5 ? cocrystal structure of gp120 and M48U1.
Release_Year 2013
PMID 23707685
DOI 10.1016/j.str.2013.04.015