PPIRE01839
Target Protein Information
| Protein_Name | Prothrombin |
|---|---|
| Protein_Sequence | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Extracellular |
| Gene_Names | F2 |
| UniProt_ID | P00734 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Hirunorm?IV |
|---|---|
| Peptide_Sequence | XRXTDaGXPSHXGGDYEEIPXXYXe |
| Peptide_Length | 25 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Chemical_Modification | X1=cyclohexylglycine; X3=b-(2-naphthyl)-alanine; a6=D-alanine; X8=beta-alanine; X13=alpha-amino-4-phenylbutyric?acid; X22=alpha-aminoisobutyric?acid; X23=alpha-aminoisobutyric?acid; X25=cyclohexylalanine; e26=D-glutamic?acid |
| 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 | 2392.39 |
|---|---|
| Aliphatic_Index | 19.60000 |
| Aromaticity | 0.08000 |
| Average_Rotatable_Bonds | 2.96000 |
| Charge_at_pH_7 | -3.90659 |
| Isoelectric_Point | 3.95148 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 37 |
| Number_of_Hydrogen_Bond_Donors | 37 |
| Topological_Polar_Surface_Area | 1102.14000 |
| X_logP_energy | -16.53153 |
Interaction Information
| Affinity | Ki=0.09 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 4THN |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. |
| Release_Year | 1999 |
| PMID | None |
| DOI | 10.2210/pdb4thn/pdb |