sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.910 Å
X-ray
2010-11-29
| 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: | 50.609 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.355 | 617.625 |
| % Hydrophobic | % Polar |
|---|---|
| 55.19 | 44.81 |
| According to VolSite | |
| HET Code: | 3RE |
|---|---|
| Formula: | C18H22N6O2 |
| Molecular weight: | 354.406 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.72 % |
| Polar Surface area: | 110.02 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 45.1946 | 15.0036 | 30.9853 |
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 |
| C26 | SD | MET- 804 | 4.04 | 0 | Hydrophobic |
| C16 | SD | MET- 804 | 3.73 | 0 | Hydrophobic |
| C16 | CE3 | TRP- 812 | 4.13 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 831 | 4.39 | 0 | Hydrophobic |
| C15 | CD1 | ILE- 831 | 3.42 | 0 | Hydrophobic |
| N24 | NZ | LYS- 833 | 3.16 | 146.87 | H-Bond (Protein Donor) |
| C12 | CD2 | TYR- 867 | 3.31 | 0 | Hydrophobic |
| C5 | CG2 | ILE- 879 | 4.34 | 0 | Hydrophobic |
| C12 | CG2 | ILE- 879 | 4.04 | 0 | Hydrophobic |
| N1 | N | VAL- 882 | 2.91 | 168.29 | H-Bond (Protein Donor) |
| N11 | O | VAL- 882 | 2.58 | 144.01 | H-Bond (Ligand Donor) |
| C12 | CG2 | VAL- 882 | 4.09 | 0 | Hydrophobic |
| C5 | CE | MET- 953 | 4.18 | 0 | Hydrophobic |
| C19 | SD | MET- 953 | 3.8 | 0 | Hydrophobic |
| C12 | CE1 | PHE- 961 | 4.34 | 0 | Hydrophobic |
| C5 | CG2 | ILE- 963 | 4.13 | 0 | Hydrophobic |
| C12 | CG2 | ILE- 963 | 4.39 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 963 | 4.13 | 0 | Hydrophobic |
