PPIRE09694
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | MAISKKSSLFLPIFTFITMFLMVVNKVSSSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDANVIRNSTTIDFNAAYNADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNEIPDIATVV |
| Organism_Source | Canavalia ensiformis |
| Functional_Classification | lectins |
| Cellular_Localization | Extracellular |
| Gene_Names | ConA |
| UniProt_ID | A8WDZ4 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | L30 |
|---|---|
| Peptide_Sequence | WYDLFDNINS |
| Peptide_Length | 10 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Alpha-D-Mannopyranoside-Oxime |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1286.36 |
|---|---|
| Aliphatic_Index | 78.00000 |
| Aromaticity | 0.30000 |
| Average_Rotatable_Bonds | 3.80000 |
| Charge_at_pH_7 | -2.00197 |
| Isoelectric_Point | 3.49188 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 17 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 542.25000 |
| X_logP_energy | -3.53880 |
Interaction Information
| Affinity | KD=4.3 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins. |
| Release_Year | 2015 |
| PMID | 25860443 |
| DOI | 10.1021/ja511237n |