PPIRE00107
Target Protein Information
| Protein_Name | Ribonucleoside-diphosphate reductase large subunit |
|---|---|
| Protein_Sequence | MHVIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKSTLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYEKQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYDMWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTRPAANPIQFTLNKEKLKDKEKVSKEEEEKERNTAAMVCSLENRDECLMCGS |
| Organism_Source | Homo sapiens |
| Functional_Classification | Ribonucleotide reductase |
| Cellular_Localization | Cytoplasm |
| Gene_Names | RRM1 |
| UniProt_ID | P23921 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PIE8 |
|---|---|
| Peptide_Sequence | kGacdykewqwlcaa |
| Peptide_Length | 15 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 9-Fluorenylmethoxycarbonyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1772.03 |
|---|---|
| Aliphatic_Index | 46.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.66667 |
| Charge_at_pH_7 | -0.12518 |
| Isoelectric_Point | 6.21864 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 24 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 692.26000 |
| X_logP_energy | -3.95840 |
Interaction Information
| Affinity | IC50=0.123 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | More potent linear peptide inhibitors of mammalian ribonucleotide reductase. |
| Release_Year | 2004 |
| PMID | 15454215 |
| DOI | 10.1016/j.bmcl.2004.08.028 |