sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.810 Å
X-ray
2005-12-29
| 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 |
|---|---|
| A | 24 % |
| L | 76 % |
| B-Factor: | 43.729 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.264 | 378.000 |
| % Hydrophobic | % Polar |
|---|---|
| 50.89 | 49.11 |
| According to VolSite | |
| HET Code: | A74 |
|---|---|
| Formula: | C20H15Cl2N3O5S |
| Molecular weight: | 480.321 g/mol |
| DrugBank ID: | DB07321 |
| Buried Surface Area: | 59.62 % |
| Polar Surface area: | 111.93 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 7.33852 | 39.4105 | 44.8569 |
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 | 3.5 | 0 | Hydrophobic |
| C13 | CB | MET- 18 | 4.37 | 0 | Hydrophobic |
| CL2 | CB | GLU- 20 | 4 | 0 | Hydrophobic |
| C1 | CB | GLU- 20 | 3.85 | 0 | Hydrophobic |
| C13 | CD | ARG- 22 | 3.62 | 0 | Hydrophobic |
| C10 | CG | ARG- 22 | 3.32 | 0 | Hydrophobic |
| C | CB | ALA- 24 | 3.77 | 0 | Hydrophobic |
| C19 | CG | ARG- 25 | 4.5 | 0 | Hydrophobic |
| C14 | CB | ARG- 25 | 3.8 | 0 | Hydrophobic |
| C4 | CB | LEU- 30 | 4.18 | 0 | Hydrophobic |
| CL2 | CD2 | LEU- 30 | 4.09 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 30 | 3.7 | 0 | Hydrophobic |
| C3 | CB | THR- 31 | 4.48 | 0 | Hydrophobic |
| C8 | CG2 | THR- 31 | 4.33 | 0 | Hydrophobic |
| C13 | CB | THR- 31 | 4.2 | 0 | Hydrophobic |
| O1 | N | THR- 31 | 3.01 | 152.76 | H-Bond (Protein Donor) |
| N1 | OG1 | THR- 31 | 2.99 | 160.35 | H-Bond (Protein Donor) |
| C13 | CG | GLN- 32 | 4.29 | 0 | Hydrophobic |
| CL2 | CD1 | LEU- 34 | 3.91 | 0 | Hydrophobic |
| CL2 | CE | MET- 177 | 3.48 | 0 | Hydrophobic |
| C1 | CE | MET- 177 | 4.01 | 0 | Hydrophobic |
| O2 | O | HOH- 516 | 2.74 | 179.98 | H-Bond (Protein Donor) |
