2.400 Å
X-ray
2000-09-08
| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform |
|---|---|
| ID: | PK3CG_PIG |
| AC: | O02697 |
| Organism: | Sus scrofa |
| Reign: | Eukaryota |
| TaxID: | 9823 |
| EC Number: | 2.7.1.153 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 57.052 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.032 | 624.375 |
| % Hydrophobic | % Polar |
|---|---|
| 56.22 | 43.78 |
| According to VolSite | |

| HET Code: | LY2 |
|---|---|
| Formula: | C19H17NO3 |
| Molecular weight: | 307.343 g/mol |
| DrugBank ID: | DB02656 |
| Buried Surface Area: | 61.43 % |
| Polar Surface area: | 38.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 20.9517 | 62.3286 | 21.4085 |
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 |
| C25 | SD | MET- 804 | 3.44 | 0 | Hydrophobic |
| C25 | CD1 | ILE- 831 | 4.18 | 0 | Hydrophobic |
| C2 | CD | LYS- 833 | 4.36 | 0 | Hydrophobic |
| C15 | CD2 | TYR- 867 | 3.57 | 0 | Hydrophobic |
| C16 | CG | TYR- 867 | 3.59 | 0 | Hydrophobic |
| C15 | CG2 | ILE- 879 | 4.49 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 881 | 4.22 | 0 | Hydrophobic |
| C16 | CG2 | VAL- 882 | 3.57 | 0 | Hydrophobic |
| C18 | CB | VAL- 882 | 4.2 | 0 | Hydrophobic |
| O17 | N | VAL- 882 | 2.53 | 164.68 | H-Bond (Protein Donor) |
| C22 | CG2 | THR- 887 | 3.66 | 0 | Hydrophobic |
| C19 | SD | MET- 953 | 3.52 | 0 | Hydrophobic |
| C22 | CE | MET- 953 | 3.96 | 0 | Hydrophobic |
| C15 | CE1 | PHE- 961 | 3.76 | 0 | Hydrophobic |
| C15 | CG2 | ILE- 963 | 3.63 | 0 | Hydrophobic |
| C3 | CD1 | ILE- 963 | 4.13 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 963 | 4.26 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 963 | 4.34 | 0 | Hydrophobic |
| C2 | CB | ASP- 964 | 3.84 | 0 | Hydrophobic |