PPIRE10314
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase F, mitochondrial |
|---|---|
| Protein_Sequence | MLALRCGSRWLGLLSVPRSVPLRLPAARACSKGSGDPSSSSSSGNPLVYLDVDANGKPLGRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMANAGPNTNGSQFFICTIKTDWLDGKHVVFGHVKEGMDVVKKIESFGSKSGRTSKKIVITDCGQLS |
| Organism_Source | Homo sapiens |
| Functional_Classification | peptidyl-prolyl cis-trans isomerases |
| Cellular_Localization | Mitochondrion |
| Gene_Names | PPIF |
| UniProt_ID | P30405 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Cyclosporin A |
|---|---|
| Peptide_Sequence | XXXaaXVXvXX |
| Peptide_Length | 11 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C |
| Chemical_Modification | X1=MeBmt; X2=Aib; X3=N-methylleucine; X6=N-methylleucine; X8=N-methylleucine; X10=N-methylleucine; X11=N-methylvaline |
| Cyclization_Method | Main chain-main chain cyclization; X1<->X11; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 757.80 |
|---|---|
| Aliphatic_Index | 70.90909 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.09091 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 354.32000 |
| X_logP_energy | -6.98210 |
Interaction Information
| Affinity | KD=12 nM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | SPR-based interaction studies with small molecular weight ligands using hAGT fusion proteins. |
| Release_Year | 2004 |
| PMID | 15450803 |
| DOI | 10.1016/j.ab.2004.05.058 |