sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2009-05-07
| Name: | Serine/threonine-protein kinase Sgk1 |
|---|---|
| ID: | SGK1_HUMAN |
| AC: | O00141 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 68.937 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.405 | 600.750 |
| % Hydrophobic | % Polar |
|---|---|
| 56.74 | 43.26 |
| According to VolSite | |
| HET Code: | MMG |
|---|---|
| Formula: | C20H13N2O2 |
| Molecular weight: | 313.329 g/mol |
| DrugBank ID: | DB08191 |
| Buried Surface Area: | 56.9 % |
| Polar Surface area: | 68.81 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 35.7944 | 33.0634 | 68.5652 |
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 |
| C5 | CG2 | ILE- 104 | 3.5 | 0 | Hydrophobic |
| C10 | CG2 | ILE- 104 | 3.55 | 0 | Hydrophobic |
| C9 | CG2 | VAL- 112 | 3.6 | 0 | Hydrophobic |
| C17 | CB | ALA- 125 | 4.15 | 0 | Hydrophobic |
| O24 | NZ | LYS- 127 | 3.75 | 0 | Ionic (Protein Cationic) |
| C8 | CD | LYS- 127 | 4.13 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 176 | 3.5 | 0 | Hydrophobic |
| N21 | O | ASP- 177 | 3 | 165.03 | H-Bond (Ligand Donor) |
| N22 | N | ILE- 179 | 2.99 | 171.45 | H-Bond (Protein Donor) |
| C3 | CG | GLU- 183 | 4.1 | 0 | Hydrophobic |
| C5 | CD2 | LEU- 229 | 4.19 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 229 | 3.88 | 0 | Hydrophobic |
| C16 | CD1 | LEU- 229 | 3.81 | 0 | Hydrophobic |
| C17 | CG2 | THR- 239 | 4.38 | 0 | Hydrophobic |
| C14 | CG2 | THR- 239 | 3.74 | 0 | Hydrophobic |
| C15 | CB | THR- 239 | 3.8 | 0 | Hydrophobic |
