PPIRE18188
Target Protein Information
| Protein_Name | Beta-lactamase |
|---|---|
| Protein_Sequence | LAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAAAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETXLN |
| Organism_Source | Escherichia coli |
| Functional_Classification | serine beta lactamases |
| Cellular_Localization | Extracellular |
| Gene_Names | blaSHV-1 |
| UniProt_ID | A0A2P1JHI0 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | BP41-50 |
|---|---|
| Peptide_Sequence | HCRGHAAGDY |
| Peptide_Length | 10 |
| Peptide_SMILES | C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)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 | 1086.15 |
|---|---|
| Aliphatic_Index | 20.00000 |
| Aromaticity | 0.10000 |
| Average_Rotatable_Bonds | 3.20000 |
| Charge_at_pH_7 | 0.11742 |
| Isoelectric_Point | 7.52068 |
|---|---|
| Hydrogen_Bond_Acceptors | 17 |
| Hydrogen_Bond_Donors | 19 |
| Topological_Polar_Surface_Area | 502.01000 |
| X_logP_energy | -6.38823 |
Interaction Information
| Affinity | Ki=458 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Binding Properties of a Peptide Derived from Beta-Lactamase Inhibitory Protein |
| Release_Year | 2001 |
| PMID | 11709298 |
| DOI | 10.1128/AAC.45.12.3279-3286.2001 |