2.720 Å
X-ray
2010-07-15
| Name: | G protein-coupled receptor kinase 6 |
|---|---|
| ID: | GRK6_HUMAN |
| AC: | P43250 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.16 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 89.783 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.935 | 1022.625 |
| % Hydrophobic | % Polar |
|---|---|
| 45.21 | 54.79 |
| According to VolSite | |

| HET Code: | SGV |
|---|---|
| Formula: | C12H15N5O5 |
| Molecular weight: | 309.278 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.8 % |
| Polar Surface area: | 169.73 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 5 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -73.6944 | 16.256 | 22.0773 |
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 |
| C1' | CB | LEU- 192 | 4.45 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 200 | 4.18 | 0 | Hydrophobic |
| C1' | CG1 | VAL- 200 | 4.08 | 0 | Hydrophobic |
| C5 | CB | ALA- 213 | 4.48 | 0 | Hydrophobic |
| N6 | O | THR- 264 | 2.92 | 147.89 | H-Bond (Ligand Donor) |
| N1 | N | MET- 266 | 3.19 | 160.15 | H-Bond (Protein Donor) |
| O2' | OD1 | ASP- 270 | 2.97 | 167.23 | H-Bond (Ligand Donor) |
| C3' | CB | ASP- 270 | 4.31 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 318 | 3.27 | 0 | Hydrophobic |
| C2' | CD2 | LEU- 318 | 4.44 | 0 | Hydrophobic |