2.900 Å
X-ray
2005-06-30
| 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: | 44.702 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.064 | 648.000 |
| % Hydrophobic | % Polar |
|---|---|
| 58.33 | 41.67 |
| According to VolSite | |

| HET Code: | BYM |
|---|---|
| Formula: | C11H4F2NO4S |
| Molecular weight: | 284.216 g/mol |
| DrugBank ID: | DB07503 |
| Buried Surface Area: | 67.83 % |
| Polar Surface area: | 92 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 43.9081 | 14.2203 | 31.0954 |
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 |
| F17 | CZ3 | TRP- 812 | 3.54 | 0 | Hydrophobic |
| F17 | CD1 | ILE- 831 | 3.82 | 0 | Hydrophobic |
| C8 | CD1 | ILE- 831 | 4.26 | 0 | Hydrophobic |
| O7 | NZ | LYS- 833 | 3.46 | 126.47 | H-Bond (Protein Donor) |
| C13 | CB | TYR- 867 | 4.26 | 0 | Hydrophobic |
| C16 | CG2 | ILE- 879 | 3.58 | 0 | Hydrophobic |
| F17 | CG2 | ILE- 881 | 3.76 | 0 | Hydrophobic |
| O12 | N | VAL- 882 | 3.08 | 156.88 | H-Bond (Protein Donor) |
| C13 | CG2 | VAL- 882 | 4.09 | 0 | Hydrophobic |
| F19 | CB | VAL- 882 | 4.08 | 0 | Hydrophobic |
| F19 | CB | ALA- 885 | 3.36 | 0 | Hydrophobic |
| F19 | CE | MET- 953 | 3.61 | 0 | Hydrophobic |
| C8 | SD | MET- 953 | 3.47 | 0 | Hydrophobic |
| F19 | CZ | PHE- 961 | 4.4 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 963 | 3.82 | 0 | Hydrophobic |
| S4 | CD1 | ILE- 963 | 4.34 | 0 | Hydrophobic |
| C15 | CG2 | ILE- 963 | 3.75 | 0 | Hydrophobic |