PPIRE08121
Target Protein Information
| Protein_Name | Mannan-binding lectin serine protease 1 |
|---|---|
| Protein_Sequence | MRWLLLYYALCFSLSKASAHTVELNNMFGQIQSPGYPDSYPSDSEVTWNITVPDGFRIKLYFMHFNLESSYLCEYDYVKVETEDQVLATFCGRETTDTEQTPGQEVVLSPGSFMSITFRSDFSNEERFTGFDAHYMAVDVDECKEREDEELSCDHYCHNYIGGYYCSCRFGYILHTDNRTCRVECSDNLFTQRTGVITSPDFPNPYPKSSECLYTIELEEGFMVNLQFEDIFDIEDHPEVPCPYDYIKIKVGPKVLGPFCGEKAPEPISTQSHSVLILFHSDNSGENRGWRLSYRAAGNECPELQPPVHGKIEPSQAKYFFKDQVLVSCDTGYKVLKDNVEMDTFQIECLKDGTWSNKIPTCKIVDCRAPGELEHGLITFSTRNNLTTYKSEIKYSCQEPYYKMLNNNTGIYTCSAQGVWMNKVLGRSLPTCLPVCGLPKFSRKLMARIFNGRPAQKGTTPWIAMLSHLNGQPFCGGSLLGSSWIVTAAHCLHQSLDPEDPTLRDSDLLSPSDFKIILGKHWRLRSDENEQHLGVKHTTLHPQYDPNTFENDVALVELLESPVLNAFVMPICLPEGPQQEGAMVIVSGWGKQFLQRFPETLMEIEIPIVDHSTCQKAYAPLKKKVTRDMICAGEKEGGKDACAGDSGGPMVTLNRERGQWYLVGTVSWGDDCGKKDRYGVYSYIHHNKDWIQRVTGVRN |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine proteases |
| Cellular_Localization | Extracellular |
| Gene_Names | MASP1 |
| UniProt_ID | P48740 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | SGMI-1 |
|---|---|
| Peptide_Sequence | FCTRKLCY |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=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 | 1033.27 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | 1.87289 |
| Isoelectric_Point | 8.79809 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 395.40000 |
| X_logP_energy | -2.33833 |
Interaction Information
| Affinity | Ki=7 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 4DJZ |
| 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 |