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
2004-09-16
| 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: | 22.489 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.106 | 1377.000 |
| % Hydrophobic | % Polar |
|---|---|
| 43.14 | 56.86 |
| According to VolSite | |
| HET Code: | L12 |
|---|---|
| Formula: | C15H14N2 |
| Molecular weight: | 222.285 g/mol |
| DrugBank ID: | DB01953 |
| Buried Surface Area: | 66.89 % |
| Polar Surface area: | 28.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 3.88441 | 11.3489 | 30.4298 |
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 |
| C5 | CG2 | VAL- 38 | 3.97 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 38 | 4.41 | 0 | Hydrophobic |
| N11 | O | ALA- 51 | 3.23 | 141.67 | H-Bond (Ligand Donor) |
| C15 | CB | ALA- 51 | 3.95 | 0 | Hydrophobic |
| C5 | CD | LYS- 53 | 4.42 | 0 | Hydrophobic |
| C22 | CB | LYS- 53 | 4.05 | 0 | Hydrophobic |
| C26 | CD2 | LEU- 75 | 3.69 | 0 | Hydrophobic |
| C28 | CD1 | ILE- 84 | 3.52 | 0 | Hydrophobic |
| N11 | O | LEU- 104 | 3.45 | 125.54 | H-Bond (Ligand Donor) |
| C24 | CB | LEU- 104 | 3.62 | 0 | Hydrophobic |
| C8 | CG2 | THR- 106 | 3.78 | 0 | Hydrophobic |
| C22 | CG2 | THR- 106 | 3.53 | 0 | Hydrophobic |
| C8 | CG | MET- 109 | 4.2 | 0 | Hydrophobic |
| C15 | CG | MET- 109 | 4.3 | 0 | Hydrophobic |
| N12 | N | MET- 109 | 3.04 | 156.84 | H-Bond (Protein Donor) |
| C8 | CD2 | LEU- 167 | 3.47 | 0 | Hydrophobic |
