2.670 Å
X-ray
2012-05-02
| 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: | 56.612 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.077 | 695.250 |
| % Hydrophobic | % Polar |
|---|---|
| 57.28 | 42.72 |
| According to VolSite | |

| HET Code: | 0SC |
|---|---|
| Formula: | C28H34FN6O2 |
| Molecular weight: | 505.607 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 49.3 % |
| Polar Surface area: | 91.6 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 6 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 18.6424 | -5.53314 | 19.6412 |
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 |
| C12 | CE | MET- 804 | 3.36 | 0 | Hydrophobic |
| C28 | CZ3 | TRP- 812 | 4.21 | 0 | Hydrophobic |
| C8 | CZ3 | TRP- 812 | 3.25 | 0 | Hydrophobic |
| C3 | CD2 | TRP- 812 | 4.28 | 0 | Hydrophobic |
| C28 | CD1 | ILE- 831 | 3.79 | 0 | Hydrophobic |
| C25 | CD1 | ILE- 831 | 3.81 | 0 | Hydrophobic |
| C23 | CD | LYS- 833 | 3.85 | 0 | Hydrophobic |
| C22 | CD1 | LEU- 838 | 4.49 | 0 | Hydrophobic |
| N5 | OD2 | ASP- 841 | 2.79 | 151.46 | H-Bond (Ligand Donor) |
| C25 | CG2 | ILE- 879 | 3.8 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 879 | 3.68 | 0 | Hydrophobic |
| C27 | CG2 | ILE- 881 | 4.28 | 0 | Hydrophobic |
| C27 | CB | VAL- 882 | 4.29 | 0 | Hydrophobic |
| C26 | CG2 | VAL- 882 | 3.94 | 0 | Hydrophobic |
| O1 | N | VAL- 882 | 2.58 | 170.48 | H-Bond (Protein Donor) |
| C11 | CG2 | THR- 887 | 4.12 | 0 | Hydrophobic |
| C28 | SD | MET- 953 | 4.13 | 0 | Hydrophobic |
| C27 | CE | MET- 953 | 3.92 | 0 | Hydrophobic |
| C26 | CE2 | PHE- 961 | 3.92 | 0 | Hydrophobic |
| C18 | CB | ILE- 963 | 4.24 | 0 | Hydrophobic |
| C12 | CD1 | ILE- 963 | 3.73 | 0 | Hydrophobic |
| C25 | CG2 | ILE- 963 | 4.21 | 0 | Hydrophobic |
| C21 | CB | ASP- 964 | 4.49 | 0 | Hydrophobic |