sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2009-02-26
| Name: | Fructose-1,6-bisphosphatase 1 |
|---|---|
| ID: | F16P1_HUMAN |
| AC: | P09467 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 3.1.3.11 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| F | 77 % |
| H | 23 % |
| B-Factor: | 35.389 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.332 | 462.375 |
| % Hydrophobic | % Polar |
|---|---|
| 56.20 | 43.80 |
| According to VolSite | |
| HET Code: | RO5 |
|---|---|
| Formula: | C12H12BrN3O3S2 |
| Molecular weight: | 390.276 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 67.26 % |
| Polar Surface area: | 124.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -10.8617 | 69.1688 | 1.75619 |
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 |
| C21 | CG2 | VAL- 17 | 3.94 | 0 | Hydrophobic |
| BR2 | CG | MET- 18 | 3.66 | 0 | Hydrophobic |
| S16 | CG | MET- 18 | 4.39 | 0 | Hydrophobic |
| C21 | CB | GLU- 20 | 3.78 | 0 | Hydrophobic |
| BR2 | CG | ARG- 22 | 4.45 | 0 | Hydrophobic |
| S16 | CG | ARG- 22 | 4.23 | 0 | Hydrophobic |
| C5 | CB | ALA- 24 | 3.55 | 0 | Hydrophobic |
| N1 | O | GLY- 26 | 3.06 | 130.89 | H-Bond (Ligand Donor) |
| C12 | CB | LEU- 30 | 3.73 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 30 | 3.74 | 0 | Hydrophobic |
| O1 | OG1 | THR- 31 | 2.71 | 158.63 | H-Bond (Protein Donor) |
| O2 | OG1 | THR- 31 | 3.37 | 123.63 | H-Bond (Protein Donor) |
| O2 | N | THR- 31 | 3.09 | 153.08 | H-Bond (Protein Donor) |
| BR2 | CG2 | THR- 31 | 3.79 | 0 | Hydrophobic |
| BR2 | CG | GLN- 32 | 4.4 | 0 | Hydrophobic |
| C20 | CD1 | LEU- 34 | 4.1 | 0 | Hydrophobic |
| C20 | SD | MET- 177 | 3.92 | 0 | Hydrophobic |
| C21 | CE | MET- 177 | 3.78 | 0 | Hydrophobic |
