PPIRE15231
Target Protein Information
| Protein_Name | Antithrombin-III |
|---|---|
| Protein_Sequence | MYSNVIGTVTSGKRKVYLLSLLLIGFWDCVTCHGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine protease inhibitors |
| Cellular_Localization | Extracellular |
| Gene_Names | SERPINC1 |
| UniProt_ID | P01008 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | L30-G48 |
|---|---|
| Peptide_Sequence | LYRKANKSSKLVVSANRLPG |
| Peptide_Length | 20 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C |
| Chemical_Modification | None |
| 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 | 2201.60 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.05000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | 4.99624 |
| Isoelectric_Point | 11.76841 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 32 |
| Number_of_Hydrogen_Bond_Donors | 35 |
| Topological_Polar_Surface_Area | 976.39000 |
| X_logP_energy | -11.17326 |
Interaction Information
| Affinity | KD=350 nM |
|---|---|
| Affinity_Assay | Isothermal Titration Calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Heparin binding domain peptides of antithrombin III: analysis by isothermal titration calorimetry and circular dichroism spectroscopy |
| Release_Year | 1994 |
| PMID | 8003980 |
| DOI | 10.1002/pro.5560030410 |