PPIRE07423
Target Protein Information
| Protein_Name | Nuclear factor NF-kappa-B p105 subunit |
|---|---|
| Protein_Sequence | MAEDDPYLGRPEQMFHLDPSLTHTIFNPEVFQPQMALPTDGPYLQILEQPKQRGFRFRYVCEGPSHGGLPGASSEKNKKSYPQVKICNYVGPAKVIVQLVTNGKNIHLHAHSLVGKHCEDGICTVTAGPKDMVVGFANLGILHVTKKKVFETLEARMTEACIRGYNPGLLVHPDLAYLQAEGGGDRQLGDREKELIRQAALQQTKEMDLSVVRLMFTAFLPDSTGSFTRRLEPVVSDAIYDSKAPNASNLKIVRMDRTAGCVTGGEEIYLLCDKVQKDDIQIRFYEEEENGGVWEGFGDFSPTDVHRQFAIVFKTPKYKDINITKPASVFVQLRRKSDLETSEPKPFLYYPEIKDKEEVQRKRQKLMPNFSDSFGGGSGAGAGGGGMFGSGGGGGGTGSTGPGYSFPHYGFPTYGGITFHPGTTKSNAGMKHGTMDTESKKDPEGCDKSDDKNTVNLFGKVIETTEQDQEPSEATVGNGEVTLTYATGTKEESAGVQDNLFLEKAMQLAKRHANALFDYAVTGDVKMLLAVQRHLTAVQDENGDSVLHLAIIHLHSQLVRDLLEVTSGLISDDIINMRNDLYQTPLHLAVITKQEDVVEDLLRAGADLSLLDRLGNSVLHLAAKEGHDKVLSILLKHKKAALLLDHPNGDGLNAIHLAMMSNSLPCLLLLVAAGADVNAQEQKSGRTALHLAVEHDNISLAGCLLLEGDAHVDSTTYDGTTPLHIAAGRGSTRLAALLKAAGADPLVENFEPLYDLDDSWENAGEDEGVVPGTTPLDMATSWQVFDILNGKPYEPEFTSDDLLAQGDMKQLAEDVKLQLYKLLEIPDPDKNWATLAQKLGLGILNNAFRLSPAPSKTLMDNYEVSGGTVRELVEALRQMGYTEAIEVIQAASSPVKTTSQAHSLPLSPASTRQQIDELRDSDSVCDSGVETSFRKLSFTESLTSGASLLTLNKMPHDYGQEGPLEGKI |
| Organism_Source | Homo sapiens |
| Functional_Classification | NF-kappaB |
| Cellular_Localization | Nucleus |
| Gene_Names | NFKB1 |
| UniProt_ID | P19838 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cyclic Pro-Gly-Val-Gly-Tyr(8-OH)-Gly-Trp |
|---|---|
| Peptide_Sequence | PGVGXGW |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | X5=8-hydroxytyrosine |
| Cyclization_Method | main chain-main chain cyclization; P1<->W7; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 628.69 |
|---|---|
| Aliphatic_Index | 41.42857 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 2.28571 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 239.72000 |
| X_logP_energy | -2.36260 |
Interaction Information
| Affinity | IC50=10.3 uM |
|---|---|
| Affinity_Assay | NF-kappaB reporter gene assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Antibacterial and NF-KappaB Inhibitory Lumazine Peptides, Aspochalasin, Gamma-Butyrolactone Derivatives, and Cyclic Peptides from a Hawaiian Aspergillus flavipes. |
| Release_Year | 2020 |
| PMID | 32568536 |
| DOI | 10.1021/acs.jnatprod.0c00344 |