sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2010-01-18
| Name: | Alpha-ketoglutarate-dependent dioxygenase FTO |
|---|---|
| ID: | FTO_HUMAN |
| AC: | Q9C0B1 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 53.406 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE2 |
| Ligandability | Volume (Å3) |
|---|---|
| 0.964 | 705.375 |
| % Hydrophobic | % Polar |
|---|---|
| 56.94 | 43.06 |
| According to VolSite | |
| HET Code: | 3DT |
|---|---|
| Formula: | C11H16N2O5 |
| Molecular weight: | 256.255 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 58.47 % |
| Polar Surface area: | 90.31 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 29.2272 | -6.7535 | -29.2958 |
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 |
| O2 | NH1 | ARG- 96 | 3.07 | 151.82 | H-Bond (Protein Donor) |
| O2 | NH2 | ARG- 96 | 3.45 | 135.49 | H-Bond (Protein Donor) |
| CN | CE2 | TYR- 106 | 4.18 | 0 | Hydrophobic |
| CN | CD1 | TYR- 108 | 3.92 | 0 | Hydrophobic |
| C1' | CE1 | TYR- 108 | 3.66 | 0 | Hydrophobic |
| C2' | CZ | TYR- 108 | 3.4 | 0 | Hydrophobic |
| C7 | CD2 | LEU- 109 | 4.35 | 0 | Hydrophobic |
| C2' | CD1 | LEU- 109 | 3.29 | 0 | Hydrophobic |
| C1' | CG1 | VAL- 228 | 4.1 | 0 | Hydrophobic |
| C4' | CG1 | VAL- 228 | 3.66 | 0 | Hydrophobic |
| C7 | CB | HIS- 231 | 4.48 | 0 | Hydrophobic |
| O4 | N | GLU- 234 | 2.93 | 169.7 | H-Bond (Protein Donor) |
| C7 | CG | GLU- 234 | 3.51 | 0 | Hydrophobic |
