sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.460 Å
X-ray
2012-04-21
| Name: | Tyrosine-protein kinase HCK |
|---|---|
| ID: | HCK_HUMAN |
| AC: | P08631 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 75.353 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.348 | 1474.875 |
| % Hydrophobic | % Polar |
|---|---|
| 55.84 | 44.16 |
| According to VolSite | |
| HET Code: | VSA |
|---|---|
| Formula: | C24H24N6O |
| Molecular weight: | 412.487 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 63.31 % |
| Polar Surface area: | 97.86 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 10.1408 | 4.14294 | 75.9913 |
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 |
| CAP | CB | LEU- 273 | 3.89 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 281 | 4.17 | 0 | Hydrophobic |
| CAY | CG1 | VAL- 281 | 4.2 | 0 | Hydrophobic |
| CAJ | CG2 | VAL- 281 | 4.26 | 0 | Hydrophobic |
| CAP | CG1 | VAL- 281 | 3.87 | 0 | Hydrophobic |
| C5 | CB | ALA- 293 | 4.21 | 0 | Hydrophobic |
| CAK | CB | ALA- 293 | 4.46 | 0 | Hydrophobic |
| CAI | CD | LYS- 295 | 4.38 | 0 | Hydrophobic |
| CAH | CD | LYS- 295 | 3.82 | 0 | Hydrophobic |
| CAC | CB | ALA- 311 | 4.35 | 0 | Hydrophobic |
| CAD | CB | MET- 314 | 4.36 | 0 | Hydrophobic |
| CAC | CG | MET- 314 | 4.46 | 0 | Hydrophobic |
| CAF | CG | LEU- 325 | 4.26 | 0 | Hydrophobic |
| CAD | CD1 | LEU- 325 | 3.63 | 0 | Hydrophobic |
| CAF | CG2 | ILE- 336 | 4.02 | 0 | Hydrophobic |
| CAI | CG2 | THR- 338 | 3.66 | 0 | Hydrophobic |
| NAA | O | GLU- 339 | 3.02 | 167.84 | H-Bond (Ligand Donor) |
| N1 | N | MET- 341 | 2.84 | 160.9 | H-Bond (Protein Donor) |
| CAO | CB | SER- 345 | 4.03 | 0 | Hydrophobic |
| CAQ | CD2 | LEU- 393 | 3.97 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 393 | 3.6 | 0 | Hydrophobic |
| CAY | CD1 | LEU- 393 | 3.68 | 0 | Hydrophobic |
| CAH | CB | ALA- 403 | 4.18 | 0 | Hydrophobic |
| NAT | O | ASP- 404 | 3.23 | 132.88 | H-Bond (Ligand Donor) |
| CAF | CB | ASP- 404 | 3.59 | 0 | Hydrophobic |
| CAG | CB | LEU- 407 | 3.83 | 0 | Hydrophobic |
