PPIRE17455
Target Protein Information
| Protein_Name | Falcipain-2b |
|---|---|
| Protein_Sequence | MDYHMDYIPNEVISHQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFILFYFTPNFRKSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDNKMKDINKNNNNNTSSDFKGLSLFKENKPSNNFIHNENYFINVFDHKFLMNNVEHINQFYTFIKTNNKQYNSPNEMKERFQVFLQNAHKVKMHNNNKKSLYKKELNRFADLTYHEFKSKYLTLRSSKPLKNSKYLLDQINYDAVIKKYKGNENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICTDDDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISIAVSDDFPFYKEGIFDGECGDELNHAVMLVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE |
| Organism_Source | Plasmodium falciparum (isolate 3D7) |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Lysosome |
| Gene_Names | FP2B |
| UniProt_ID | Q8I6U5 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | CYS-cIHL |
|---|---|
| Peptide_Sequence | CQVVAGC |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C1<-->C7; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 678.82 |
|---|---|
| Aliphatic_Index | 97.14286 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.85714 |
| Charge_at_pH_7 | -0.12597 |
| Isoelectric_Point | 5.82601 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 281.01000 |
| X_logP_energy | -3.60450 |
Interaction Information
| Affinity | KD=71.3 uM |
|---|---|
| Affinity_Assay | Surface Plasmon Resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial |
| Release_Year | 2020 |
| PMID | 33292080 |
| DOI | 10.1080/07391102.2020.1848629 |