PPIRE09106
Target Protein Information
| Protein_Name | Peptidoglycan D,D-transpeptidase FtsI |
|---|---|
| Protein_Sequence | MKAAAKTQKPKRQEEHANFISWRFALLCGCILLALAFLLGRVAWLQVISPDMLVKEGDMRSLRVQQVSTSRGMITDRSGRPLAVSVPVKAIWADPKEVHDAGGISVGDRWKALANALNIPLDQLSARINANPKGRFIYLARQVNPDMADYIKKLKLPGIHLREESRRYYPSGEVTAHLIGFTNVDSQGIEGVEKSFDKWLTGQPGERIVRKDRYGRVIEDISSTDSQAAHNLALSIDERLQALVYRELNNAVAFNKAESGSAVLVDVNTGEVLAMANSPSYNPNNLSGTPKEAMRNRTITDVFEPGSTVKPMVVMTALQRGVVRENSVLNTIPYRINGHEIKDVARYSELTLTGVLQKSSNVGVSKLALAMPSSALVDTYSRFGLGKATNLGLVGERSGLYPQKQRWSDIERATFSFGYGLMVTPLQLARVYATIGSYGIYRPLSITKVDPPVPGERVFPESIVRTVVHMMESVALPGGGGVKAAIKGYRIAIKTGTAKKVGPDGRYINKYIAYTAGVAPASQPRFALVVVINDPQAGKYYGGAVSAPVFGAIMGGVLRTMNIEPDALTTGDKNEFVINQGEGTGGRS |
| Organism_Source | Escherichia coli (strain K12) |
| Functional_Classification | transpeptidases |
| Cellular_Localization | Extracellular |
| Gene_Names | ftsI |
| UniProt_ID | P0AD68 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Pep90 |
|---|---|
| Peptide_Sequence | CYHFLWGPC |
| Peptide_Length | 9 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C1<->C9; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1125.33 |
|---|---|
| Aliphatic_Index | 43.33333 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.11111 |
| Charge_at_pH_7 | -0.03591 |
| Isoelectric_Point | 7.25089 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 352.03000 |
| X_logP_energy | 0.20080 |
Interaction Information
| Affinity | IC50=62.5 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Novel peptide inhibiting both TEM-1 Beta-lactamase and penicillin-binding proteins. |
| Release_Year | 2010 |
| PMID | 21044268 |
| DOI | 10.1111/j.1742-4658.2010.07906.x |