sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2013-06-06
| 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: | 49.118 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.169 | 594.000 |
| % Hydrophobic | % Polar |
|---|---|
| 58.52 | 41.48 |
| According to VolSite | |
| HET Code: | 926 |
|---|---|
| Formula: | C15H13N3OS |
| Molecular weight: | 283.348 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 67.09 % |
| Polar Surface area: | 72.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 40.6078 | 14.2892 | 61.4185 |
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 |
| C9 | CG1 | VAL- 62 | 3.69 | 0 | Hydrophobic |
| O13 | N | ARG- 63 | 2.73 | 147.93 | H-Bond (Protein Donor) |
| N2 | O | ARG- 63 | 2.74 | 147.22 | H-Bond (Ligand Donor) |
| C20 | CE | MET- 210 | 3.85 | 0 | Hydrophobic |
| C9 | CD1 | ILE- 211 | 3.72 | 0 | Hydrophobic |
| C20 | CD1 | TYR- 214 | 3.64 | 0 | Hydrophobic |
| S14 | CE | MET- 235 | 3.23 | 0 | Hydrophobic |
| C20 | CG | MET- 235 | 4.06 | 0 | Hydrophobic |
