sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
1999-11-29
| Name: | Mitogen-activated protein kinase 14 |
|---|---|
| ID: | MK14_HUMAN |
| AC: | Q16539 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 19.061 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.033 | 411.750 |
| % Hydrophobic | % Polar |
|---|---|
| 66.39 | 33.61 |
| According to VolSite | |
| HET Code: | MSQ |
|---|---|
| Formula: | C17H17N3O2S |
| Molecular weight: | 327.401 g/mol |
| DrugBank ID: | DB02984 |
| Buried Surface Area: | 55.26 % |
| Polar Surface area: | 81.57 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 43.7839 | 30.8625 | 30.882 |
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 |
| C27 | CG1 | VAL- 30 | 4.35 | 0 | Hydrophobic |
| C32 | CG2 | VAL- 30 | 4.07 | 0 | Hydrophobic |
| C9 | CG2 | VAL- 30 | 3.64 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 38 | 4.28 | 0 | Hydrophobic |
| C10 | CG1 | VAL- 38 | 4.13 | 0 | Hydrophobic |
| C5 | CB | ALA- 51 | 4.46 | 0 | Hydrophobic |
| C22 | CB | ALA- 51 | 4.06 | 0 | Hydrophobic |
| C16 | CD | LYS- 53 | 3.74 | 0 | Hydrophobic |
| S21 | CB | LYS- 53 | 3.51 | 0 | Hydrophobic |
| S21 | CB | LEU- 104 | 3.57 | 0 | Hydrophobic |
| C22 | CG2 | THR- 106 | 3.21 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 108 | 3.86 | 0 | Hydrophobic |
| N3 | N | MET- 109 | 2.77 | 170.57 | H-Bond (Protein Donor) |
| C5 | CE | MET- 109 | 4.48 | 0 | Hydrophobic |
| C7 | CB | MET- 109 | 4.07 | 0 | Hydrophobic |
| C8 | CE | MET- 109 | 4.45 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 167 | 4.28 | 0 | Hydrophobic |
| C19 | CB | ASP- 168 | 4.13 | 0 | Hydrophobic |
