PPIRE10688
Target Protein Information
| Protein_Name | UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase |
|---|---|
| Protein_Sequence | MPMSLNQLFPQAERDLLIRELTLDSRGVRPGDLFLAVPGGRQDGRAHIADALAKGAAAVAYEAEGAGELPPSDAPLIAVKGLAAQLSAVAGRFYGEPSRGLDLIGVTGTNGKTSVSQLVAQALDLLGERCGIVGTLGTGFYGALESGRHTTPDPLAVQATLATLKQAGARAVAMEVSSHGLDQGRVAALGFDIAVFTNLSRDHLDYHGSMEAYAAAKAKLFAWPGLRCRVINLDDDFGRRLAGEEQDSELITYSLTDSSAFLYCREARFGDAGIEAALVTPHGEGLLRSPLLGRFNLSNLLAAVGALLGLGYPLGDILRTLPQLQGPVGRMQRLGGGDKPLVVVDYAHTPDALEKVLEALRPHAAARLLCLFGCGGDRDAGKRPLMAAIAERLADEVLVTDDNPRTEASAAIIADIRKGFAAADKVTFLPSRGEAIAHLIASAAVDDVVLLAGKGHEDYQEIDGVRHPFSDIEQAERALAAWEVPHA |
| Organism_Source | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) |
| Functional_Classification | amide ligases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | murE |
| UniProt_ID | Q59650 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | MurEp1 |
|---|---|
| Peptide_Sequence | NHNMHRTTQWPL |
| Peptide_Length | 12 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)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 | 1534.72 |
|---|---|
| Aliphatic_Index | 32.50000 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 3.83333 |
| Charge_at_pH_7 | 1.17980 |
| Isoelectric_Point | 10.55350 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 22 |
| Number_of_Hydrogen_Bond_Donors | 23 |
| Topological_Polar_Surface_Area | 679.41000 |
| X_logP_energy | -7.26673 |
Interaction Information
| Affinity | Ki=80 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Pseudomonas aeruginosa MurE amide ligase: enzyme kinetics and peptide inhibitor. |
| Release_Year | 2009 |
| PMID | 19400768 |
| DOI | 10.1042/BJ20081395 |