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
2015-02-26
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.160 | 8.160 | 8.160 | 0.000 | 8.160 | 1 |
| Name: | Serine/threonine-protein kinase 10 |
|---|---|
| ID: | STK10_HUMAN |
| AC: | O94804 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 55.915 |
|---|---|
| Number of residues: | 37 |
| Including | |
| Standard Amino Acids: | 37 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.357 | 1269.000 |
| % Hydrophobic | % Polar |
|---|---|
| 49.73 | 50.27 |
| According to VolSite | |
| HET Code: | DB8 |
|---|---|
| Formula: | C26H30Cl2N5O3 |
| Molecular weight: | 531.454 g/mol |
| DrugBank ID: | DB06616 |
| Buried Surface Area: | 54.65 % |
| Polar Surface area: | 84.08 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 14.2088 | 4.04061 | 35.2256 |
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 |
| CAA | CB | LEU- 42 | 3.82 | 0 | Hydrophobic |
| CAN | CD2 | LEU- 42 | 3.78 | 0 | Hydrophobic |
| CBD | CD1 | LEU- 42 | 4.1 | 0 | Hydrophobic |
| CBC | CB | LEU- 42 | 3.9 | 0 | Hydrophobic |
| CAJ | CG1 | VAL- 50 | 3.87 | 0 | Hydrophobic |
| CAJ | CB | ALA- 63 | 4.09 | 0 | Hydrophobic |
| C01 | CB | ALA- 63 | 3.9 | 0 | Hydrophobic |
| CBA | CB | ALA- 63 | 3.44 | 0 | Hydrophobic |
| CL1 | CD | LYS- 65 | 4.05 | 0 | Hydrophobic |
| C01 | CB | LYS- 65 | 4.08 | 0 | Hydrophobic |
| CAX | CG | LYS- 65 | 4.18 | 0 | Hydrophobic |
| C01 | CG1 | ILE- 110 | 3.72 | 0 | Hydrophobic |
| CAN | CZ | PHE- 112 | 3.44 | 0 | Hydrophobic |
| NAT | N | CYS- 113 | 3.01 | 158.48 | H-Bond (Protein Donor) |
| CL2 | CD2 | LEU- 164 | 4.41 | 0 | Hydrophobic |
| CBE | CD1 | LEU- 164 | 3.52 | 0 | Hydrophobic |
| CL2 | CB | ALA- 174 | 4.18 | 0 | Hydrophobic |
| CL2 | CB | ASP- 175 | 4.35 | 0 | Hydrophobic |
| CAI | CB | ASP- 175 | 3.85 | 0 | Hydrophobic |
| CL1 | CG1 | VAL- 178 | 3.9 | 0 | Hydrophobic |
