sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2010-10-12
| 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: | 21.355 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.933 | 351.000 |
| % Hydrophobic | % Polar |
|---|---|
| 62.50 | 37.50 |
| According to VolSite | |
| HET Code: | P78 |
|---|---|
| Formula: | C24H27N3O4S2 |
| Molecular weight: | 485.619 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.86 % |
| Polar Surface area: | 132.19 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 52.3472 | 29.5378 | -17.7259 |
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 |
| C11 | CG1 | VAL- 38 | 4.23 | 0 | Hydrophobic |
| C12 | CB | ALA- 51 | 3.59 | 0 | Hydrophobic |
| C14 | CB | LYS- 53 | 3.65 | 0 | Hydrophobic |
| C21 | CD | LYS- 53 | 3.97 | 0 | Hydrophobic |
| C12 | CB | LYS- 53 | 3.85 | 0 | Hydrophobic |
| C31 | CG | ARG- 67 | 3.98 | 0 | Hydrophobic |
| N15 | OE1 | GLU- 71 | 2.89 | 177.93 | H-Bond (Ligand Donor) |
| C31 | CB | GLU- 71 | 4.06 | 0 | Hydrophobic |
| C7 | CD2 | LEU- 74 | 4.17 | 0 | Hydrophobic |
| S2 | CD2 | LEU- 75 | 4.26 | 0 | Hydrophobic |
| C21 | CD1 | LEU- 75 | 4.12 | 0 | Hydrophobic |
| C7 | SD | MET- 78 | 3.93 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 83 | 3.95 | 0 | Hydrophobic |
| C9 | CG1 | VAL- 83 | 4.49 | 0 | Hydrophobic |
| S2 | CG2 | ILE- 84 | 3.99 | 0 | Hydrophobic |
| C20 | CD1 | ILE- 84 | 3.88 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 84 | 3.67 | 0 | Hydrophobic |
| C21 | CD1 | LEU- 104 | 4.44 | 0 | Hydrophobic |
| C2 | CB | LEU- 104 | 3.8 | 0 | Hydrophobic |
| C12 | CG2 | THR- 106 | 3.58 | 0 | Hydrophobic |
| C14 | CG2 | THR- 106 | 3.55 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 141 | 4.25 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 146 | 4.37 | 0 | Hydrophobic |
| C8 | CB | HIS- 148 | 4.07 | 0 | Hydrophobic |
| C9 | CG2 | ILE- 166 | 3.81 | 0 | Hydrophobic |
| C17 | CD1 | LEU- 167 | 4.23 | 0 | Hydrophobic |
| S2 | CB | ASP- 168 | 3.82 | 0 | Hydrophobic |
| C28 | CB | ASP- 168 | 4.44 | 0 | Hydrophobic |
| O14 | N | ASP- 168 | 2.85 | 163.83 | H-Bond (Protein Donor) |
