PPIRE14905
Target Protein Information
| Protein_Name | Thermolysin |
|---|---|
| Protein_Sequence | MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEELVYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDGTLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVYVNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK |
| Organism_Source | Bacillus thermoproteolyticus |
| Functional_Classification | metalloendopeptidases |
| Cellular_Localization | Extracellular |
| Gene_Names | npr |
| UniProt_ID | P00800 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | HOCH2CO-L-Phe-L-Ala-Gly-NH2 |
|---|---|
| Peptide_Sequence | XFG |
| Peptide_Length | 3 |
| Peptide_SMILES | NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O |
| Chemical_Modification | X1=hydroxyacetyl |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 279.30 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 2.33333 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | -1.12660 |
Interaction Information
| Affinity | Ki=2.9 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design of potent reversible inhibitors for thermolysin. Peptides containing zinc coordinating ligands and their use in affinity chromatography. |
| Release_Year | 1979 |
| PMID | 114215 |
| DOI | 10.1021/bi00587a012 |