2.800 Å
X-ray
2011-07-28
| 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: | 69.690 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.181 | 1026.000 |
| % Hydrophobic | % Polar |
|---|---|
| 54.93 | 45.07 |
| According to VolSite | |

| HET Code: | ZW3 |
|---|---|
| Formula: | C13H10N4O3S |
| Molecular weight: | 302.308 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 64.23 % |
| Polar Surface area: | 121.19 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 45.0562 | 14.3954 | 31.4288 |
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 |
| C1 | CH2 | TRP- 812 | 3.55 | 0 | Hydrophobic |
| S12 | CD1 | ILE- 831 | 4.34 | 0 | Hydrophobic |
| N15 | NZ | LYS- 833 | 2.69 | 154.25 | H-Bond (Protein Donor) |
| C1 | CG2 | ILE- 881 | 4.19 | 0 | Hydrophobic |
| N4 | O | VAL- 882 | 2.76 | 174.3 | H-Bond (Ligand Donor) |
| N21 | N | VAL- 882 | 2.91 | 146.02 | H-Bond (Protein Donor) |
| C1 | CB | ALA- 885 | 4.27 | 0 | Hydrophobic |
| S12 | CD1 | ILE- 963 | 4.48 | 0 | Hydrophobic |
| O17 | OD1 | ASP- 964 | 3.41 | 139.66 | H-Bond (Ligand Donor) |