sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.780 Å
X-ray
2013-01-16
| Name: | Glucokinase |
|---|---|
| ID: | HXK4_HUMAN |
| AC: | P35557 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.1.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 24.159 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.098 | 425.250 |
| % Hydrophobic | % Polar |
|---|---|
| 57.94 | 42.06 |
| According to VolSite | |
| HET Code: | 1FW |
|---|---|
| Formula: | C20H21FN4O2S |
| Molecular weight: | 400.470 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 74.41 % |
| Polar Surface area: | 102.9 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -8.07754 | 36.8005 | 51.8807 |
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 |
| C10 | CG1 | VAL- 62 | 3.64 | 0 | Hydrophobic |
| N19 | O | ARG- 63 | 2.8 | 160.66 | H-Bond (Ligand Donor) |
| N21 | N | ARG- 63 | 3.11 | 161.94 | H-Bond (Protein Donor) |
| C3 | CG | GLN- 98 | 4.4 | 0 | Hydrophobic |
| F1 | CB | GLN- 98 | 4.2 | 0 | Hydrophobic |
| C3 | CB | TRP- 99 | 3.82 | 0 | Hydrophobic |
| C13 | CE | MET- 210 | 3.81 | 0 | Hydrophobic |
| C12 | CG1 | ILE- 211 | 4.03 | 0 | Hydrophobic |
| C13 | CG | TYR- 214 | 3.65 | 0 | Hydrophobic |
| C14 | CD1 | TYR- 214 | 3.91 | 0 | Hydrophobic |
| C15 | CE1 | TYR- 214 | 3.93 | 0 | Hydrophobic |
| C14 | SD | MET- 235 | 3.86 | 0 | Hydrophobic |
| C16 | CE | MET- 235 | 4.19 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 451 | 4.4 | 0 | Hydrophobic |
| S24 | CG1 | VAL- 455 | 4.14 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 455 | 4.28 | 0 | Hydrophobic |
| S24 | CB | LYS- 458 | 3.69 | 0 | Hydrophobic |
