sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.850 Å
X-ray
2008-07-08
| 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: | 45.027 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.744 | 664.875 |
| % Hydrophobic | % Polar |
|---|---|
| 51.78 | 48.22 |
| According to VolSite | |
| HET Code: | 41A |
|---|---|
| Formula: | C13H18N2O2S |
| Molecular weight: | 266.359 g/mol |
| DrugBank ID: | DB07073 |
| Buried Surface Area: | 64.23 % |
| Polar Surface area: | 70.67 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 22.2368 | 61.3832 | 21.3906 |
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 |
| C04 | SD | MET- 804 | 4.28 | 0 | Hydrophobic |
| C01 | CB | SER- 806 | 4.31 | 0 | Hydrophobic |
| C01 | CG | PRO- 810 | 3.5 | 0 | Hydrophobic |
| C04 | CD1 | ILE- 831 | 4.31 | 0 | Hydrophobic |
| C17 | CD1 | ILE- 831 | 4.31 | 0 | Hydrophobic |
| C08 | CD | LYS- 833 | 3.77 | 0 | Hydrophobic |
| C14 | CD2 | TYR- 867 | 4.02 | 0 | Hydrophobic |
| S10 | CG2 | ILE- 879 | 4.27 | 0 | Hydrophobic |
| C13 | CG2 | ILE- 879 | 4.16 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 882 | 3.56 | 0 | Hydrophobic |
| C16 | CB | VAL- 882 | 4.33 | 0 | Hydrophobic |
| O15 | N | VAL- 882 | 2.62 | 164.79 | H-Bond (Protein Donor) |
| C16 | SD | MET- 953 | 3.66 | 0 | Hydrophobic |
| C14 | CE1 | PHE- 961 | 4.2 | 0 | Hydrophobic |
| C16 | CZ | PHE- 961 | 4.42 | 0 | Hydrophobic |
| C03 | CD1 | ILE- 963 | 4.41 | 0 | Hydrophobic |
| S10 | CG2 | ILE- 963 | 3.51 | 0 | Hydrophobic |
| C13 | CG2 | ILE- 963 | 4.24 | 0 | Hydrophobic |
| C03 | CB | ASP- 964 | 4.04 | 0 | Hydrophobic |
| C08 | CB | ASP- 964 | 3.86 | 0 | Hydrophobic |
