PPIRE02177
Target Protein Information
| Protein_Name | Genome polyprotein |
|---|---|
| Protein_Sequence | MMTSPSDYQSNSSLATTYSNAPKLSKALSNKYDYLYEVDILKENQKISDTYLPLLNPYSAFAKRSVTPWSQIRSLVQSKPRHVKEYVAASKLDQHPVFATGEEQFVTLHIPEEFASHWKSHQFTHIHFGAVKIALTYHGRKGQPVVARLALLDTRYLEYQHANLGTAEITLNAGTVFITLFPNFTMSLSDANLSTALKIQVQIQGAPLTKDSIQATLHYQIAWRVQNHAMDLTLPGGEEALFLKIDAGNGATQCTQVPRQLSKEDLIKILPDSWVTNYEKLKEPEEPLRSTEVSMSKRHDKSVAISFDHSHYKKLRNTHHFMGMISDDVIVLDDPETFSKTLPSLMQTHDWIHHFQLDGRAVSWYKDPFDGHCPWDIDCQCYSCLYSEDEEDFEDGFPTKYKGIPRPGSIAERKMQEEANLKKLYEDKDPFVGSLSRPGKYEYLVRYDAPSWAKDPHLTVEPTGWDSDEPILPNQPFITRNTLPKIYMFNPLNYENNFPPLSSFSKDGADHTPKIPKRNVVLPSGAKDPTGDLEATVNWQTENALAQNRMLTTIDRTLKETVTKVDRVSDQSSKNQGLIRVLEQQLQDLNKRICPPGTSLFHFFDQQKSEMASLKEQIRLLKEQPQKNETDTPSYQSSYQPFHNFSSPYMPSNPPNSPFTNFANTPQPQPSLFSQYPIQPKSPNTFDLAKLVWEKKDAIAEEKRAKKKLQKDEVKQKTSLPPESKRPDPQSSSHLGDQFMISDPTLPKVYELNEPSVPSEDTSSQSYISTEESVEDTDSFSVVSEESTQLSQLSSSSNDSPENNENTLPQTFMVRPTEPEISEVEDEVDGMTEEPIPERRPEITPPKMVGTGFHTFSLDDISITKWPERIQDFHTWMLTKQLVEREPFLILSEFTARLSGTLREWWNSVGPDDKNRFLTSQDFTWNIRILYSYFCGDQSQNKEELRRQIFEMKCLSYDRKKIDRHFQRMIKLFYHIGGDISLKQAFISSLPPILSERISALIKERGTSGTQMHVGDIRQTGFYVLDDLCSKRKFFNQMKKMSRDLEKACTKSDLIIKGDKGCSGYCNPSRRRKYKRFKLPSFKERDGRQYRKRRRFFRKSKTSKAMRQKPRSCFTCGKIGHFSRNCPQNKKSIKLISEIQKYTGIDIEDDLESVFSIEDEPSEDTLFSLEFYEEYAGEQYQITSYEAPKTENPPLPKIHTIVEIPQTEVKVYTSKWDKPISVIAFYDTGAAYSIMDPAILPSEYWIPHFRHFGTADDGILTTTVKTKHPITIEFFPGFKYTTKLLGSDIPGKDLLIGFDIYRQLNNKLRIGADGIRWKNQFKRYTEIPRLFQLTTSNELQQLEDVIKNQLCAESHVDFLSKCSHPLWLNQDFFIQLPFKRNENINPTKASHSGMNPEHLQLALKECDELQQFDLIEPSDSQWACEAFYVNKRSEQVRGKLRLVINYQPLNHFLQDDKFPIPNKLTLFSHLSKAKLFSKFDLKSGFWQLGIHPNERPKTGFCIPDRHFQWKVMPFGLKTAPSLFQKAMIKIFQPILFSALVYIDDILLFSETLEDHIKLLNQFISLVKKFGVMLSAKKMILAQNKIQFLGMDFADGTFSPAGHISLELQKFPDTNLSVKQIQQFLGIVNYIRDFIPEVTEHISPLSDMLKKKPPAWGKCQDNAVKQLKQLAQQVKSLHIPSEGKKILQTDASDQYWSAVLLEEHNGKRKICGFASGKFKVSEQHYHSTFKEILAVKNGIKKFNFFLIHTNFLVEMDMRAFPKMIRLNPKIVPNSQLLRWAQWFSPYQFEVKHLKGKDNILADFLSRPHEFSQRLKNSPKVLMFQRRTRSNSTKSKADSSQSTGSSYKLSHNLPENPPEAFDLDYPWDTSVFLERRTFYELQVFKKYGGSILRPFGVDPEYPFAHIFIPNPTDFSEDLLWMFWYLLNHFHILMEFRCSKFSKFDQVNPWMMKFLLWFNNHNYWASLFKCMKGIKKYVVIWFYRPVNYYQGKLCALPHSSIVKWNHVSVLNDEDEYSELQRFIFQENKCIPKEIWPGSLGSWNYGNSDHPHGQWIRDALREYREMNDYFQDAQDPYPAYSKVDLTQEELNTLRITRSYGSSSEDADMVKRSIYTVQSNIVKNSPRKRKGKAKSKSSTRNEKRRAKNKCKYRSLHGEDWWIELGYSTKPSTPSWTQDSSSEPCI |
| Organism_Source | Petunia vein clearing virus (isolate Hohn) |
| Functional_Classification | Viral envelope proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | None |
| UniProt_ID | Q6XKE6 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | BI-LA-398 |
|---|---|
| Peptide_Sequence | FVFXLEI |
| Peptide_Length | 7 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O |
| Chemical_Modification | X4=CH2NH |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 823.99 |
|---|---|
| Aliphatic_Index | 152.85714 |
| Aromaticity | 0.28571 |
| Average_Rotatable_Bonds | 3.57143 |
| Charge_at_pH_7 | -1.00024 |
| Isoelectric_Point | 3.84998 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 275.22000 |
| X_logP_energy | 1.03690 |
Interaction Information
| Affinity | IC50=3.1 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structure of human immunodeficiency virus (HIV)type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures |
| Release_Year | 1993 |
| PMID | 8378311 |
| DOI | 10.1073/pnas.90.18.8387 |