sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2010-01-05
| 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: | 23.146 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.010 | 425.250 |
| % Hydrophobic | % Polar |
|---|---|
| 55.56 | 44.44 |
| According to VolSite | |
| HET Code: | KSS |
|---|---|
| Formula: | C16H17N3O2S |
| Molecular weight: | 315.390 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 40.73 % |
| Polar Surface area: | 73.95 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 28.5831 | 36.4591 | 8.92982 |
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 |
| C14 | CB | LEU- 251 | 3.77 | 0 | Hydrophobic |
| C36 | CB | LEU- 251 | 4.22 | 0 | Hydrophobic |
| C21 | CD1 | LEU- 251 | 3.62 | 0 | Hydrophobic |
| S12 | CG1 | VAL- 259 | 3.92 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 259 | 4.16 | 0 | Hydrophobic |
| N5 | N | MET- 319 | 2.82 | 158.35 | H-Bond (Protein Donor) |
