PPIRE07714
Target Protein Information
| Protein_Name | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase |
|---|---|
| Protein_Sequence | MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR |
| Organism_Source | Escherichia coli (strain K12) |
| Functional_Classification | acyltransferases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | lpxA |
| UniProt_ID | P0A722 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | CR24 |
|---|---|
| Peptide_Sequence | GWMLDPIA |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](C)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 902.08 |
|---|---|
| Aliphatic_Index | 110.00000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 311.32000 |
| X_logP_energy | -0.00660 |
Interaction Information
| Affinity | IC50=100 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure guided design of an antibacterial peptide that targets UDP-N-acetylglucosamine acyltransferase. |
| Release_Year | 2019 |
| PMID | 30850651 |
| DOI | 10.1038/s41598-019-40418-8 |