PPIRE08167
Target Protein Information
| Protein_Name | Mannan-binding lectin serine protease 2 |
|---|---|
| Protein_Sequence | MRLLTLLGLLCGSVATPLGPKWPEPVFGRLASPGFPGEYANDQERRWTLTAPPGYRLRLYFTHFDLELSHLCEYDFVKLSSGAKVLATLCGQESTDTERAPGKDTFYSLGSSLDITFRSDYSNEKPFTGFEAFYAAEDIDECQVAPGEAPTCDHHCHNHLGGFYCSCRAGYVLHRNKRTCSALCSGQVFTQRSGELSSPEYPRPYPKLSSCTYSISLEEGFSVILDFVESFDVETHPETLCPYDFLKIQTDREEHGPFCGKTLPHRIETKSNTVTITFVTDESGDHTGWKIHYTSTAQPCPYPMAPPNGHVSPVQAKYILKDSFSIFCETGYELLQGHLPLKSFTAVCQKDGSWDRPMPACSIVDCGPPDDLPSGRVEYITGPGVTTYKAVIQYSCEETFYTMKVNDGKYVCEADGFWTSSKGEKSLPVCEPVCGLSARTTGGRIYGGQKAKPGDFPWQVLILGGTTAAGALLYDNWVLTAAHAVYEQKHDASALDIRMGTLKRLSPHYTQAWSEAVFIHEGYTHDAGFDNDIALIKLNNKVVINSNITPICLPRKEAESFMRTDDIGTASGWGLTQRGFLARNLMYVDIPIVDHQKCTAAYEKPPYPRGSVTANMLCAGLESGGKDSCRGDSGGALVFLDSETERWFVGGIVSWGSMNCGEAGQYGVYTKVINYIPWIENIISDF |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine proteases |
| Cellular_Localization | Extracellular |
| Gene_Names | MASP2 |
| UniProt_ID | O00187 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | SGMI-2 |
|---|---|
| Peptide_Sequence | ICSRSLPP |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C2<->C7; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 872.05 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.93601 |
| Isoelectric_Point | 8.54991 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 351.80000 |
| X_logP_energy | -3.92583 |
Interaction Information
| Affinity | Ki=6 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 3TVJ |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Monospecific inhibitors show that both mannan-binding lectin-associated serine protease-1 (MASP-1)and -2 Are essential for lectin pathway activation and reveal structural plasticity of MASP-2. |
| Release_Year | 2012 |
| PMID | 22511776 |
| DOI | 10.1074/jbc.M112.354332 |