1.900 Å
X-ray
2011-01-20
| Name: | Deoxycytidine kinase |
|---|---|
| ID: | DCK_HUMAN |
| AC: | P27707 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.1.74 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 33.140 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.004 | 1201.500 |
| % Hydrophobic | % Polar |
|---|---|
| 46.91 | 53.09 |
| According to VolSite | |

| HET Code: | LLT |
|---|---|
| Formula: | C10H14N2O5 |
| Molecular weight: | 242.229 g/mol |
| DrugBank ID: | DB01265 |
| Buried Surface Area: | 58.76 % |
| Polar Surface area: | 99.1 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 11.9879 | 29.1461 | -3.86865 |
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 |
| C5' | CG1 | ILE- 30 | 4.19 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 55 | 3.68 | 0 | Hydrophobic |
| C3' | CD1 | LEU- 82 | 4.44 | 0 | Hydrophobic |
| C3' | CZ | TYR- 86 | 4.33 | 0 | Hydrophobic |
| C2' | CE2 | PHE- 96 | 4.05 | 0 | Hydrophobic |
| O4 | NE2 | GLN- 97 | 2.65 | 174.83 | H-Bond (Protein Donor) |
| N3 | OE1 | GLN- 97 | 2.55 | 151.92 | H-Bond (Ligand Donor) |
| C7 | CE1 | PHE- 137 | 3.67 | 0 | Hydrophobic |
| C1' | CE2 | PHE- 137 | 3.68 | 0 | Hydrophobic |