PPIRE10875

Target Protein Information
Protein_Name Gag-Pol polyprotein
Protein_Sequence MGARNSVLRGKKADELEKVRLRPNGKKRYRLKHVVWAANELDRFGLAESLLESKEGCQKILKVLEPLVPTGSENLKSLFNTVCVIWCLHAEEKVKDTEEAKKLAQRHLVAETGTAEKMPNISRPTAPPSGKGGNFPVQQAGGNYIHVPLSPRTLNAWVKLVEEKKFGAEVVPGFQALSEGCTPYDINQMLNCVGDHQAAMQIIREIINEEAADWDAQHPIPGPLPAGQLRDPRGSDIAGTTSTVDEQIQWMYRQPNPVPVGNIYRRWIQIGLQKCVRMYNPTNILDVKQGPKESFQSYVDRFYKSLRAEQTDPAVKNWMTQTLLIQNANPDCKLVLKGLGMNPTLEEMLTACQGVGGPSQKARLMAEALKEALTPAPIPFAAAQQRRAIRCWNCGKEGHSAKQCRAPRRQGCWKCGKSGHIMANCPERQAGFLDGPTGKAAPQLPRGPSSSGADTNSTPNRSSSGPVGEIYAAREKAERAEGETIQGGDGGLTAPRAGRDAPQRGDRGLATPQFSLWKRPVVTAFIEDQPVEVLLDTGADDSIVAGIELGDNYTPKIVGGIGGFINTKEYKNVEIKVLNKRVRATIMTGDTPINIFGRNILATLGMSLNLPVAKLDPIKVTLKPGKDGPRLKQWPLTKEKIEALKEICEKMEREGQLEEAPPTNPYNTPTFAIKKKDKNKWRMLIDFRELNRVTQDFTEIQLGIPHPAGLAKKKRITVLDVGDAYFSIPLHEDFRQYTAFTLPSVNNAEPEKRYVYKVLPQGWKGSPAIFQFMMRQILEPFRKANPDVILIQYMDDILIASDRTGLEHDKVVLQLKELLNGLGFSTPDEKFQKDPPFQWMGYELWPTKWKLQKIQLPQKEIWTVNDIQKLVGVLNWAAQIYPGIKTKHLCKLIRGKMTLTEEVQWTELAEAELEENKIILSQEQEGSYYQEEEELEATVIKSQDNQWAYKIHQGERVLKVGKYAKIKNTHTNGVRLLAQVVQKIGKEALVIWGRVPKFHLPVERDTWEQWWDNYWQVTWVPEWDFVSTPPLVRLTFNLVGDPIPGTETFYTDGSCNRQSKEGKAGYVTDRGRDRVRVLEQTSNQQAELEAFAMALADSGPKVNIIVDSQYVMGIVAGQPTESENRIVNQIIEDMIKKEAVYVAWVPAHKGIGGNQEVDHLVSQGIRQVLFLEKIEPAQEEHEKYHSNIKELTHKFGIPQLVARQIVNTCAQCQQKGEAIHGQVNAEIGVWQMDCTHLEGKIIIVAVHVASGFIEAEVIPQESGRQTALFLLKLASRWPITHLHTDNGPNFTSQEVKMVAWWIGIEQSFGVPYNPQSQGVVEAMNHHLKNQISRIREQANTIETIVLMAVHCMNFKRRGGIGDMTPAERLINMITTEQEIQFLQRKNSNFKKFQVYYREGRDQLWKGPGELLWKGDGAVIVKVGADIKVVPRRKAKIIRDYGGRQELDSSSHLEGAREDGEVA
Organism_Source Human immunodeficiency virus type 2 subtype A (isolate D194)
Functional_Classification aspartyl protease
Cellular_Localization Cytoplasm
Gene_Names gag-pol
UniProt_ID P17757
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name T-V-S-Y-E-L
Peptide_Sequence TVSYEL
Peptide_Length 6
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 710.78
Aliphatic_Index 113.33333
Aromaticity 0.16667
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 -1.00109
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 306.81000
X_logP_energy -2.28940
Interaction Information
Affinity IC50=6 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title The inhibition of human immunodeficiency virus proteases by 'interface peptides'.
Release_Year 1996
PMID 8783807
DOI 10.1016/0166-3542(96)00940-0