sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 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: | 23.539 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.771 | 718.875 |
| % Hydrophobic | % Polar |
|---|---|
| 52.58 | 47.42 |
| According to VolSite | |
| HET Code: | P7B |
|---|---|
| Formula: | C25H28N4O3S |
| Molecular weight: | 464.580 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.29 % |
| Polar Surface area: | 118.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 51.9814 | 29.3842 | -17.6022 |
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 |
| C22 | CG1 | VAL- 38 | 4.5 | 0 | Hydrophobic |
| C19 | CG2 | VAL- 38 | 3.91 | 0 | Hydrophobic |
| C22 | CB | ALA- 51 | 4.05 | 0 | Hydrophobic |
| C17 | CD | LYS- 53 | 4.36 | 0 | Hydrophobic |
| C21 | CD | LYS- 53 | 3.86 | 0 | Hydrophobic |
| C22 | CB | LYS- 53 | 3.71 | 0 | Hydrophobic |
| C22 | CB | LYS- 53 | 3.71 | 0 | Hydrophobic |
| C31 | CG | ARG- 67 | 3.79 | 0 | Hydrophobic |
| C31 | CD | ARG- 70 | 4.29 | 0 | Hydrophobic |
| O33 | NH1 | ARG- 70 | 3.03 | 146.48 | H-Bond (Protein Donor) |
| N12 | OE1 | GLU- 71 | 3.18 | 137.89 | H-Bond (Ligand Donor) |
| N15 | OE1 | GLU- 71 | 2.86 | 163.01 | H-Bond (Ligand Donor) |
| S2 | CD2 | LEU- 75 | 3.89 | 0 | Hydrophobic |
| C25 | CD1 | LEU- 75 | 3.73 | 0 | Hydrophobic |
| C7 | CG | MET- 78 | 3.86 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 83 | 3.85 | 0 | Hydrophobic |
| C9 | CG1 | VAL- 83 | 4.33 | 0 | Hydrophobic |
| S2 | CG2 | ILE- 84 | 3.61 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 84 | 3.54 | 0 | Hydrophobic |
| C25 | CD1 | ILE- 84 | 3.61 | 0 | Hydrophobic |
| C24 | CB | LEU- 104 | 3.76 | 0 | Hydrophobic |
| C23 | CG2 | THR- 106 | 3.66 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 141 | 4.43 | 0 | Hydrophobic |
| C9 | CD1 | ILE- 141 | 4.26 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 146 | 4.31 | 0 | Hydrophobic |
| C9 | CG2 | ILE- 166 | 3.95 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 167 | 4.27 | 0 | Hydrophobic |
| S2 | CB | ASP- 168 | 3.87 | 0 | Hydrophobic |
| O14 | N | ASP- 168 | 2.96 | 164.09 | H-Bond (Protein Donor) |
