PPIRE16599
Target Protein Information
| Protein_Name | L-lactate dehydrogenase B chain |
|---|---|
| Protein_Sequence | MATLKEKLIAPVAEEEATVPNNKITVVGVGQVGMACAISILGKSLADELALVDVLEDKLKGEMMDLQHGSLFLQTPKIVADKDYSVTANSKIVVVTAGVRQQEGESRLNLVQRNVNVFKFIIPQIVKYSPDCIIIVVSNPVDILTYVTWKLSGLPKHRVIGSGCNLDSARFRYLMAEKLGIHPSSCHGWILGEHGDSSVAVWSGVNVAGVSLQELNPEMGTDNDSENWKEVHKMVVESAYEVIKLKGYTNWAIGLSVADLIESMLKNLSRIHPVSTMVKGMYGIENEVFLSLPCILNARGLTSVINQKLKDDEVAQLKKSADTLWDIQKDLKDL |
| Organism_Source | Homo sapiens |
| Functional_Classification | dehydrogenases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | LDHB |
| UniProt_ID | P07195 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Macrocycle 3 |
|---|---|
| Peptide_Sequence | ACLKECLI |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)O |
| Chemical_Modification | C2-16=m-benzyl crosslink |
| Cyclization_Method | Side chain-side chain cyclization; C2<-->C6; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 892.14 |
|---|---|
| Aliphatic_Index | 158.75000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -0.12449 |
| Isoelectric_Point | 6.13535 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 330.34000 |
| X_logP_energy | -1.19650 |
Interaction Information
| Affinity | KD=787 uM |
|---|---|
| Affinity_Assay | Microscale Thermophoresis |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Interrogating the Lactate Dehydrogenase Tetramerization Site Using (Stapled) Peptides |
| Release_Year | 2020 |
| PMID | 32250117 |
| DOI | 10.1021/acs.jmedchem.9b01955 |