2.500 Å
X-ray
2006-03-16
| 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: | 43.452 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.911 | 911.250 |
| % Hydrophobic | % Polar |
|---|---|
| 48.52 | 51.48 |
| According to VolSite | |

| HET Code: | 090 |
|---|---|
| Formula: | C18H16N5O3 |
| Molecular weight: | 350.351 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.18 % |
| Polar Surface area: | 93.23 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 45.7168 | 12.5857 | 31.2556 |
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 |
| CAY | CH2 | TRP- 812 | 3.73 | 0 | Hydrophobic |
| CAH | CG | TYR- 867 | 3.61 | 0 | Hydrophobic |
| CAH | CG2 | ILE- 879 | 4.22 | 0 | Hydrophobic |
| CAW | CD1 | ILE- 879 | 4.09 | 0 | Hydrophobic |
| CAD | CG2 | ILE- 881 | 4.07 | 0 | Hydrophobic |
| NAA | N | VAL- 882 | 2.87 | 172.57 | H-Bond (Protein Donor) |
| CAD | CB | ALA- 885 | 4.09 | 0 | Hydrophobic |
| CAZ | CE | MET- 953 | 3.9 | 0 | Hydrophobic |
| CAE | SD | MET- 953 | 3.56 | 0 | Hydrophobic |
| CAI | CE | MET- 953 | 3.54 | 0 | Hydrophobic |
| CAC | CE | MET- 953 | 3.59 | 0 | Hydrophobic |
| CAH | CE1 | PHE- 961 | 4.27 | 0 | Hydrophobic |
| CAP | CD1 | ILE- 963 | 4.03 | 0 | Hydrophobic |
| CAZ | CD1 | ILE- 963 | 4.49 | 0 | Hydrophobic |
| CAH | CG2 | ILE- 963 | 4 | 0 | Hydrophobic |
| CAW | CB | ASP- 964 | 3.93 | 0 | Hydrophobic |