sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.770 Å
X-ray
2013-03-11
| Name: | Glutaminase kidney isoform, mitochondrial |
|---|---|
| ID: | GLSK_MOUSE |
| AC: | D3Z7P3 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | 3.5.1.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 48 % |
| C | 48 % |
| D | 3 % |
| B-Factor: | 48.034 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.694 | 766.125 |
| % Hydrophobic | % Polar |
|---|---|
| 53.74 | 46.26 |
| According to VolSite | |
| HET Code: | 04A |
|---|---|
| Formula: | C24H24N6O2S3 |
| Molecular weight: | 524.681 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.94 % |
| Polar Surface area: | 191.54 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 12 |
| X | Y | Z |
|---|---|---|
| 21.109 | -26.7132 | -0.761229 |
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 |
| CAD | CB | ARG- 322 | 4.29 | 0 | Hydrophobic |
| CAL | CD2 | LEU- 326 | 3.71 | 0 | Hydrophobic |
| CAM | CG | LEU- 326 | 4.36 | 0 | Hydrophobic |
| SAZ | CD2 | LEU- 326 | 3.63 | 0 | Hydrophobic |
| SBA | CB | LEU- 326 | 3.69 | 0 | Hydrophobic |
| SAY | CD2 | LEU- 326 | 3.68 | 0 | Hydrophobic |
| CAQ | CD1 | LEU- 326 | 3.84 | 0 | Hydrophobic |
| CAO | CE1 | PHE- 327 | 4.02 | 0 | Hydrophobic |
| CAP | CD2 | PHE- 327 | 3.56 | 0 | Hydrophobic |
| SAZ | CB | PHE- 327 | 3.98 | 0 | Hydrophobic |
| SBA | CB | PHE- 327 | 3.95 | 0 | Hydrophobic |
| CAN | CZ | PHE- 327 | 3.41 | 0 | Hydrophobic |
| NAX | O | LEU- 328 | 3 | 146.77 | H-Bond (Ligand Donor) |
| CAC | CG | GLU- 330 | 3.56 | 0 | Hydrophobic |
| CAO | CZ | TYR- 399 | 4.43 | 0 | Hydrophobic |
| CAP | CE2 | TYR- 399 | 4.07 | 0 | Hydrophobic |
| NAU | OH | TYR- 399 | 3.3 | 120.99 | H-Bond (Protein Donor) |
| NAS | O | HOH- 833 | 3.33 | 121.11 | H-Bond (Protein Donor) |
