sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.230 Å
X-ray
2008-12-19
| 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: | 40.847 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.474 | 513.000 |
| % Hydrophobic | % Polar |
|---|---|
| 57.24 | 42.76 |
| According to VolSite | |
| HET Code: | FLZ |
|---|---|
| Formula: | C19H20N4O3 |
| Molecular weight: | 352.387 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 53.56 % |
| Polar Surface area: | 76.58 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 22.234 | 10.4457 | 31.5086 |
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 |
| C19 | CG2 | VAL- 38 | 4.46 | 0 | Hydrophobic |
| C5 | CB | ALA- 51 | 3.93 | 0 | Hydrophobic |
| C19 | CB | ALA- 51 | 4.44 | 0 | Hydrophobic |
| C18 | CB | LYS- 53 | 3.6 | 0 | Hydrophobic |
| C16 | CD1 | LEU- 75 | 3.81 | 0 | Hydrophobic |
| C16 | CD1 | ILE- 84 | 3.73 | 0 | Hydrophobic |
| C17 | CB | LEU- 104 | 3.57 | 0 | Hydrophobic |
| C5 | CG2 | THR- 106 | 4.46 | 0 | Hydrophobic |
| C15 | CG2 | THR- 106 | 3.77 | 0 | Hydrophobic |
| C17 | CG2 | THR- 106 | 3.56 | 0 | Hydrophobic |
| N1 | N | MET- 109 | 2.95 | 156.58 | H-Bond (Protein Donor) |
| N20 | O | MET- 109 | 2.74 | 151.84 | H-Bond (Ligand Donor) |
| C25 | CB | ASP- 112 | 4.07 | 0 | Hydrophobic |
| O13 | O | HOH- 2021 | 2.71 | 179.95 | H-Bond (Protein Donor) |
