2.000 Å
X-ray
2005-06-10
| 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: | 33.950 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.223 | 536.625 |
| % Hydrophobic | % Polar |
|---|---|
| 62.89 | 37.11 |
| According to VolSite | |

| HET Code: | BI5 |
|---|---|
| Formula: | C19H16N2O2 |
| Molecular weight: | 304.343 g/mol |
| DrugBank ID: | DB07459 |
| Buried Surface Area: | 52.98 % |
| Polar Surface area: | 51.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| 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 |
|---|---|---|
| 53.3119 | 35.954 | -25.0699 |
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 |
| C12 | CG1 | VAL- 38 | 4.12 | 0 | Hydrophobic |
| C19 | CB | ALA- 51 | 4.07 | 0 | Hydrophobic |
| C10 | CB | ALA- 51 | 3.48 | 0 | Hydrophobic |
| C19 | CB | LYS- 53 | 3.53 | 0 | Hydrophobic |
| C16 | CD1 | LEU- 75 | 3.92 | 0 | Hydrophobic |
| C17 | CB | LEU- 104 | 3.82 | 0 | Hydrophobic |
| C10 | CG2 | THR- 106 | 3.54 | 0 | Hydrophobic |
| C18 | CG2 | THR- 106 | 3.47 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 108 | 4.12 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 108 | 4.39 | 0 | Hydrophobic |
| O2 | N | MET- 109 | 2.94 | 167.14 | H-Bond (Protein Donor) |
| N1 | N | GLY- 110 | 2.76 | 144.14 | H-Bond (Protein Donor) |
| C8 | CD2 | LEU- 167 | 3.75 | 0 | Hydrophobic |