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
2011-02-23
| 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: | 24.338 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.500 | 367.875 |
| % Hydrophobic | % Polar |
|---|---|
| 65.14 | 34.86 |
| According to VolSite | |
| HET Code: | N3F |
|---|---|
| Formula: | C19H16N2O |
| Molecular weight: | 288.343 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 71.75 % |
| Polar Surface area: | 55.12 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -2.58359 | 0.3555 | -21.7971 |
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 |
| CAE | CB | VAL- 30 | 4.43 | 0 | Hydrophobic |
| CAL | CG1 | VAL- 38 | 3.99 | 0 | Hydrophobic |
| CAM | CB | ALA- 51 | 4.17 | 0 | Hydrophobic |
| CAN | CB | ALA- 51 | 3.72 | 0 | Hydrophobic |
| CAG | CB | LYS- 53 | 3.67 | 0 | Hydrophobic |
| CAR | CD | LYS- 53 | 3.58 | 0 | Hydrophobic |
| CAH | CD1 | LEU- 75 | 4.01 | 0 | Hydrophobic |
| CAH | CD1 | ILE- 84 | 3.38 | 0 | Hydrophobic |
| CAH | CD1 | LEU- 104 | 4.39 | 0 | Hydrophobic |
| CAF | CB | LEU- 104 | 3.7 | 0 | Hydrophobic |
| CAK | CG2 | THR- 106 | 3.72 | 0 | Hydrophobic |
| CAM | CG2 | THR- 106 | 3.64 | 0 | Hydrophobic |
| CAJ | CD1 | LEU- 108 | 4.48 | 0 | Hydrophobic |
| OAB | N | MET- 109 | 2.92 | 146.05 | H-Bond (Protein Donor) |
| OAB | N | GLY- 110 | 3.02 | 165.51 | H-Bond (Protein Donor) |
| CAD | CB | ASP- 112 | 4.07 | 0 | Hydrophobic |
| CAK | CD2 | LEU- 167 | 4.03 | 0 | Hydrophobic |
| CAN | CD1 | LEU- 167 | 4.27 | 0 | Hydrophobic |
| CAL | CD1 | LEU- 167 | 4.01 | 0 | Hydrophobic |
| NAA | OD1 | ASP- 168 | 2.9 | 141.51 | H-Bond (Ligand Donor) |
| NAA | O | PHE- 169 | 3.21 | 144.26 | H-Bond (Ligand Donor) |
| CAL | CD2 | LEU- 171 | 3.89 | 0 | Hydrophobic |
| CAO | CG | LEU- 171 | 3.89 | 0 | Hydrophobic |
| CAD | CD1 | LEU- 171 | 3.52 | 0 | Hydrophobic |
