PPIRE05282
Target Protein Information
| Protein_Name | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
|---|---|
| Protein_Sequence | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTTEHSKVSLGLDEDVSKRIEPSVSLWQFYLSKMISMDIEQVVTLSLAFLLAVKYIFFEQAETESTLSLKNPITSPVATPKKAPDNCCRREPVLSRRNEKLSSVEEEPGVNQDRKVEVIKPLVAETESTSRATFVLGASGGCSPVALGTQEPEIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSTKLPEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEYQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETPEGFAVIKDAFDSTSRFARLQKLHVTMAGRNLYIRFQSKTGDAMGMNMISKGTEKALVKLQEFFPEMQILAVSGNYCTDKKPAAVNWIEGRGKTVVCEAVIPARVVREVLKTTTEAMIDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA |
| Organism_Source | Mesocricetus auratus |
| Functional_Classification | oxidoreductases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | HMGCR |
| UniProt_ID | P09610 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | F(4-Fluoro)VAE |
|---|---|
| Peptide_Sequence | XVAE |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Chemical_Modification | X1=4-fluorophenylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 374.39 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.75000 |
| Charge_at_pH_7 | -1.00024 |
| Isoelectric_Point | 3.84998 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 187.92000 |
| X_logP_energy | -1.97520 |
Interaction Information
| Affinity | IC50=3.8 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone. |
| Release_Year | 2008 |
| PMID | 17977732 |
| DOI | 10.1016/j.bmc.2007.10.064 |