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
2005-11-02
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.700 | 7.700 | 7.700 | 0.000 | 7.700 | 1 |
| Name: | Mitogen-activated protein kinase 14 |
|---|---|
| ID: | MK14_MOUSE |
| AC: | P47811 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 45.425 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.455 | 513.000 |
| % Hydrophobic | % Polar |
|---|---|
| 68.42 | 31.58 |
| According to VolSite | |
| HET Code: | SB2 |
|---|---|
| Formula: | C21H16FN3OS |
| Molecular weight: | 377.435 g/mol |
| DrugBank ID: | DB08521 |
| Buried Surface Area: | 51.49 % |
| Polar Surface area: | 77.84 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -3.6387 | 3.05848 | 20.7544 |
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 |
| C1 | CD2 | TYR- 35 | 3.68 | 0 | Hydrophobic |
| CA4 | CB | TYR- 35 | 4.44 | 0 | Hydrophobic |
| CD5 | CG1 | VAL- 38 | 4.44 | 0 | Hydrophobic |
| CA6 | CG2 | VAL- 38 | 3.72 | 0 | Hydrophobic |
| CB3 | CG1 | VAL- 38 | 3.39 | 0 | Hydrophobic |
| CB5 | CB | ALA- 51 | 3.75 | 0 | Hydrophobic |
| CD5 | CB | ALA- 51 | 3.99 | 0 | Hydrophobic |
| NC3 | NZ | LYS- 53 | 3.34 | 127.74 | H-Bond (Protein Donor) |
| CA5 | CD | LYS- 53 | 3.87 | 0 | Hydrophobic |
| CD5 | CB | LYS- 53 | 3.54 | 0 | Hydrophobic |
| CD2 | CD1 | LEU- 75 | 4.27 | 0 | Hydrophobic |
| CD2 | CD1 | ILE- 84 | 3.5 | 0 | Hydrophobic |
| FD3 | CD1 | LEU- 86 | 3.43 | 0 | Hydrophobic |
| FD3 | CB | LEU- 104 | 3.3 | 0 | Hydrophobic |
| CB5 | CG2 | THR- 106 | 3.92 | 0 | Hydrophobic |
| FD3 | CB | THR- 106 | 3.63 | 0 | Hydrophobic |
| CD4 | CG2 | THR- 106 | 3.49 | 0 | Hydrophobic |
| NB1 | N | MET- 109 | 3.15 | 162.27 | H-Bond (Protein Donor) |
| CA3 | CB | PHE- 169 | 3.77 | 0 | Hydrophobic |
