2.700 Å
X-ray
2009-12-09
| 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: | 66.569 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.035 | 786.375 |
| % Hydrophobic | % Polar |
|---|---|
| 54.51 | 45.49 |
| According to VolSite | |

| HET Code: | ZIG |
|---|---|
| Formula: | C25H17F2N5O3S |
| Molecular weight: | 505.496 g/mol |
| DrugBank ID: | DB12703 |
| Buried Surface Area: | 64.58 % |
| Polar Surface area: | 115.33 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 5 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 24.923 | 15.6181 | 21.3066 |
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 |
| F35 | CE | MET- 804 | 3.34 | 0 | Hydrophobic |
| C6 | CE | MET- 804 | 3.44 | 0 | Hydrophobic |
| C10 | CD1 | ILE- 831 | 3.6 | 0 | Hydrophobic |
| C12 | CD1 | ILE- 831 | 3.87 | 0 | Hydrophobic |
| C10 | CD1 | ILE- 831 | 3.6 | 0 | Hydrophobic |
| C1 | CD | LYS- 833 | 4.33 | 0 | Hydrophobic |
| C23 | CD | LYS- 833 | 4.43 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 838 | 3.72 | 0 | Hydrophobic |
| C1 | CD1 | ILE- 879 | 3.86 | 0 | Hydrophobic |
| C2 | CG2 | ILE- 879 | 3.31 | 0 | Hydrophobic |
| C23 | CD1 | ILE- 879 | 4.11 | 0 | Hydrophobic |
| C2 | CG2 | ILE- 879 | 3.31 | 0 | Hydrophobic |
| C7 | CG2 | ILE- 881 | 4.25 | 0 | Hydrophobic |
| N26 | N | VAL- 882 | 2.9 | 158.87 | H-Bond (Protein Donor) |
| C7 | CE | MET- 953 | 3.41 | 0 | Hydrophobic |
| C22 | SD | MET- 953 | 3.85 | 0 | Hydrophobic |
| C18 | SD | MET- 953 | 3.56 | 0 | Hydrophobic |
| C2 | CG2 | ILE- 963 | 4.49 | 0 | Hydrophobic |
| C10 | CD1 | ILE- 963 | 4.27 | 0 | Hydrophobic |
| C21 | CB | ILE- 963 | 4.34 | 0 | Hydrophobic |
| C16 | CD1 | ILE- 963 | 3.99 | 0 | Hydrophobic |
| C23 | CB | ASP- 964 | 4.45 | 0 | Hydrophobic |
| C3 | CB | ASP- 964 | 3.7 | 0 | Hydrophobic |