2.810 Å
X-ray
2012-03-22
| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform |
|---|---|
| ID: | PK3CG_HUMAN |
| AC: | P48736 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.1.153 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 65.406 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.075 | 789.750 |
| % Hydrophobic | % Polar |
|---|---|
| 50.85 | 49.15 |
| According to VolSite | |

| HET Code: | EM7 |
|---|---|
| Formula: | C13H11N8O |
| Molecular weight: | 295.279 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 57.28 % |
| Polar Surface area: | 133.67 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 44.9825 | 12.4378 | 31.501 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| C8 | CE | MET- 804 | 4.42 | 0 | Hydrophobic |
| C8 | CD1 | ILE- 831 | 3.74 | 0 | Hydrophobic |
| C6 | CG2 | ILE- 879 | 3.48 | 0 | Hydrophobic |
| N8 | O | VAL- 882 | 2.79 | 144.95 | H-Bond (Ligand Donor) |
| N5 | N | VAL- 882 | 2.97 | 143.27 | H-Bond (Protein Donor) |
| C8 | CD1 | ILE- 963 | 3.68 | 0 | Hydrophobic |
| C11 | CB | ILE- 963 | 3.67 | 0 | Hydrophobic |
| C9 | CD1 | ILE- 963 | 3.77 | 0 | Hydrophobic |
| C10 | CB | ASP- 964 | 3.89 | 0 | Hydrophobic |