2.650 Å
X-ray
2011-01-11
| 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: | 60.500 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.581 | 857.250 |
| % Hydrophobic | % Polar |
|---|---|
| 45.28 | 54.72 |
| According to VolSite | |

| HET Code: | QAR |
|---|---|
| Formula: | C14H13N9 |
| Molecular weight: | 307.313 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.49 % |
| Polar Surface area: | 123.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 22.3425 | 14.2557 | 22.0406 |
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 |
| C4 | CD1 | ILE- 831 | 4.15 | 0 | Hydrophobic |
| N8 | OD2 | ASP- 836 | 3.27 | 157.16 | H-Bond (Ligand Donor) |
| C11 | CG | TYR- 867 | 3.33 | 0 | Hydrophobic |
| C11 | CG2 | ILE- 879 | 4.04 | 0 | Hydrophobic |
| N1 | N | VAL- 882 | 3.14 | 160.99 | H-Bond (Protein Donor) |
| C11 | CG2 | VAL- 882 | 4.1 | 0 | Hydrophobic |
| N7 | O | VAL- 882 | 2.92 | 152.5 | H-Bond (Ligand Donor) |
| C8 | CG2 | THR- 887 | 4.18 | 0 | Hydrophobic |
| C4 | SD | MET- 953 | 4.04 | 0 | Hydrophobic |
| C7 | CE | MET- 953 | 3.54 | 0 | Hydrophobic |
| C11 | CE1 | PHE- 961 | 3.9 | 0 | Hydrophobic |
| C4 | CD1 | ILE- 963 | 3.95 | 0 | Hydrophobic |
| C11 | CG2 | ILE- 963 | 4.01 | 0 | Hydrophobic |
| N8 | OD2 | ASP- 964 | 3.34 | 120.97 | H-Bond (Ligand Donor) |