sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2008-12-17
| 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: | 29.888 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.386 | 587.250 |
| % Hydrophobic | % Polar |
|---|---|
| 62.64 | 37.36 |
| According to VolSite | |
| HET Code: | FKO |
|---|---|
| Formula: | C19H12ClFN2O |
| Molecular weight: | 338.763 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.48 % |
| Polar Surface area: | 37.9 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 43.9338 | 53.7107 | 92.8925 |
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 |
| CLB | CZ | TYR- 35 | 3.83 | 0 | Hydrophobic |
| CAK | CB | TYR- 35 | 3.63 | 0 | Hydrophobic |
| FAA | CG1 | VAL- 38 | 3.58 | 0 | Hydrophobic |
| CAK | CG2 | VAL- 38 | 4.38 | 0 | Hydrophobic |
| FAA | CB | ALA- 51 | 3.55 | 0 | Hydrophobic |
| CAM | CB | ALA- 51 | 3.7 | 0 | Hydrophobic |
| CAW | CB | ALA- 51 | 3.6 | 0 | Hydrophobic |
| FAA | CB | LYS- 53 | 3.4 | 0 | Hydrophobic |
| CAE | CD1 | LEU- 75 | 3.65 | 0 | Hydrophobic |
| CAE | CG2 | ILE- 84 | 3.84 | 0 | Hydrophobic |
| CAC | CD1 | LEU- 86 | 4.44 | 0 | Hydrophobic |
| CAC | CB | LEU- 104 | 3.7 | 0 | Hydrophobic |
| CAM | CG2 | THR- 106 | 3.64 | 0 | Hydrophobic |
| CAG | CG2 | THR- 106 | 3.49 | 0 | Hydrophobic |
| NAO | O | HIS- 107 | 2.79 | 152.08 | H-Bond (Ligand Donor) |
| CAJ | CD1 | LEU- 108 | 3.91 | 0 | Hydrophobic |
| NAN | N | MET- 109 | 2.93 | 162.45 | H-Bond (Protein Donor) |
| CAU | CB | MET- 109 | 4.38 | 0 | Hydrophobic |
| CLB | CB | ALA- 157 | 3.53 | 0 | Hydrophobic |
| CLB | CD2 | LEU- 167 | 4.24 | 0 | Hydrophobic |
| CAS | CD2 | LEU- 167 | 3.65 | 0 | Hydrophobic |
