sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.950 Å
X-ray
2005-12-27
| 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 |
|---|---|
| D | 74 % |
| H | 26 % |
| B-Factor: | 78.941 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.227 | 506.250 |
| % Hydrophobic | % Polar |
|---|---|
| 53.33 | 46.67 |
| According to VolSite | |
| HET Code: | A37 |
|---|---|
| Formula: | C13H7Cl3N2O3S |
| Molecular weight: | 377.630 g/mol |
| DrugBank ID: | DB07312 |
| Buried Surface Area: | 68.34 % |
| Polar Surface area: | 80.58 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -6.80436 | 13.4357 | 10.7838 |
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 |
| CL2 | CG1 | VAL- 17 | 3.4 | 0 | Hydrophobic |
| CL1 | CB | MET- 18 | 3.34 | 0 | Hydrophobic |
| C14 | CB | MET- 18 | 3.59 | 0 | Hydrophobic |
| CL2 | CB | GLU- 20 | 4.14 | 0 | Hydrophobic |
| C2 | CB | GLU- 20 | 3.77 | 0 | Hydrophobic |
| CL1 | CD | ARG- 22 | 4.05 | 0 | Hydrophobic |
| C17 | CD | ARG- 22 | 3.49 | 0 | Hydrophobic |
| C18 | CB | ARG- 22 | 3.64 | 0 | Hydrophobic |
| C15 | CB | ARG- 22 | 3.79 | 0 | Hydrophobic |
| CL3 | CB | ALA- 24 | 3.45 | 0 | Hydrophobic |
| C | CB | ALA- 24 | 4.04 | 0 | Hydrophobic |
| C5 | CB | LEU- 30 | 3.92 | 0 | Hydrophobic |
| CL2 | CD2 | LEU- 30 | 4.07 | 0 | Hydrophobic |
| C3 | CD2 | LEU- 30 | 3.63 | 0 | Hydrophobic |
| C4 | CB | THR- 31 | 4.36 | 0 | Hydrophobic |
| C14 | CG2 | THR- 31 | 4.16 | 0 | Hydrophobic |
| CL1 | CG2 | THR- 31 | 4.09 | 0 | Hydrophobic |
| O | N | THR- 31 | 2.87 | 155.97 | H-Bond (Protein Donor) |
| O | OG1 | THR- 31 | 2.86 | 151.2 | H-Bond (Protein Donor) |
| CL2 | CD1 | LEU- 34 | 3.79 | 0 | Hydrophobic |
| CL2 | CE | MET- 177 | 3.38 | 0 | Hydrophobic |
| C2 | CE | MET- 177 | 3.5 | 0 | Hydrophobic |
