3.000 Å
X-ray
2012-06-06
| 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: | 70.093 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.540 | 583.875 |
| % Hydrophobic | % Polar |
|---|---|
| 46.82 | 53.18 |
| According to VolSite | |

| HET Code: | 0U0 |
|---|---|
| Formula: | C18H15N11 |
| Molecular weight: | 385.385 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 65.26 % |
| Polar Surface area: | 134.49 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 9 |
| H-Bond Donors: | 3 |
| Rings: | 5 |
| Aromatic rings: | 5 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 21.2166 | 14.415 | 21.7415 |
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 | CD1 | ILE- 831 | 3.77 | 0 | Hydrophobic |
| N3 | NZ | LYS- 833 | 3.3 | 149.41 | H-Bond (Protein Donor) |
| N9 | OD2 | ASP- 836 | 3.21 | 156.96 | H-Bond (Ligand Donor) |
| C18 | CG | TYR- 867 | 3.57 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 879 | 4.3 | 0 | Hydrophobic |
| N7 | O | VAL- 882 | 3.13 | 148 | H-Bond (Ligand Donor) |
| N5 | N | VAL- 882 | 3.24 | 163.2 | H-Bond (Protein Donor) |
| C18 | CG2 | VAL- 882 | 3.81 | 0 | Hydrophobic |
| C8 | SD | MET- 953 | 3.91 | 0 | Hydrophobic |
| C18 | CE1 | PHE- 961 | 3.8 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 963 | 3.91 | 0 | Hydrophobic |