sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.870 Å
X-ray
2013-05-29
| 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: | 64.680 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.073 | 772.875 |
| % Hydrophobic | % Polar |
|---|---|
| 48.03 | 51.97 |
| According to VolSite | |
| HET Code: | 1UJ |
|---|---|
| Formula: | C11H10N2O3S |
| Molecular weight: | 250.274 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.2 % |
| Polar Surface area: | 96.53 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 19.6639 | 13.1115 | 22.5078 |
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 |
| S | CE | MET- 804 | 4.36 | 0 | Hydrophobic |
| C8 | CH2 | TRP- 812 | 3.63 | 0 | Hydrophobic |
| S | CZ3 | TRP- 812 | 4.37 | 0 | Hydrophobic |
| C10 | CD1 | ILE- 831 | 3.77 | 0 | Hydrophobic |
| C9 | CD1 | ILE- 831 | 3.71 | 0 | Hydrophobic |
| C | CD | LYS- 833 | 4.36 | 0 | Hydrophobic |
| C3 | CG2 | ILE- 879 | 3.74 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 881 | 3.83 | 0 | Hydrophobic |
| N1 | O | VAL- 882 | 3.03 | 161.99 | H-Bond (Ligand Donor) |
| N | N | VAL- 882 | 3.13 | 166.15 | H-Bond (Protein Donor) |
| C4 | CG2 | VAL- 882 | 4.39 | 0 | Hydrophobic |
| C8 | CB | ALA- 885 | 4.45 | 0 | Hydrophobic |
| S | CE | MET- 953 | 3.67 | 0 | Hydrophobic |
| C9 | SD | MET- 953 | 3.78 | 0 | Hydrophobic |
| C3 | CG2 | ILE- 963 | 3.46 | 0 | Hydrophobic |
| C10 | CD1 | ILE- 963 | 3.7 | 0 | Hydrophobic |
| O1 | N | ASP- 964 | 3.27 | 160.01 | H-Bond (Protein Donor) |
| C | CB | ASP- 964 | 3.78 | 0 | Hydrophobic |
