sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2009-12-28
| Name: | Tyrosine-protein kinase Lck |
|---|---|
| ID: | LCK_HUMAN |
| AC: | P06239 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 6.888 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.171 | 459.000 |
| % Hydrophobic | % Polar |
|---|---|
| 58.82 | 41.18 |
| According to VolSite | |
| HET Code: | KSE |
|---|---|
| Formula: | C20H28N7O3 |
| Molecular weight: | 414.481 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 39.07 % |
| Polar Surface area: | 143.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 27.2666 | 35.9046 | 8.07977 |
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 |
| C50 | CB | LEU- 251 | 4.48 | 0 | Hydrophobic |
| C33 | CD1 | LEU- 251 | 3.77 | 0 | Hydrophobic |
| C11 | CD | LYS- 273 | 4.28 | 0 | Hydrophobic |
| N44 | O | GLU- 317 | 2.93 | 173.79 | H-Bond (Ligand Donor) |
| O43 | N | MET- 319 | 2.77 | 160.54 | H-Bond (Protein Donor) |
