PPIRE10853
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | IPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQITKIQNFRVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED |
| Organism_Source | Human immunodeficiency virus type 1 group M subtype D (isolate Z6) |
| Functional_Classification | aspartic proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | P04586 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | p6pol-PR |
|---|---|
| Peptide_Sequence | VSFNFXPQITKK |
| Peptide_Length | 12 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O |
| Chemical_Modification | X6=CH2NH |
| 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 | 1365.60 |
|---|---|
| Aliphatic_Index | 56.66667 |
| Aromaticity | 0.16667 |
| Average_Rotatable_Bonds | 3.66667 |
| Charge_at_pH_7 | 1.99739 |
| Isoelectric_Point | 10.80538 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 553.31000 |
| X_logP_energy | -5.17180 |
Interaction Information
| Affinity | Ki=36.3 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 2AOH |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. |
| Release_Year | 2005 |
| PMID | 16218957 |
| DOI | 10.1111/j.1742-4658.2005.04923.x |