sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.600 Å
X-ray
2012-04-04
| 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: | 19.115 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.577 | 438.750 |
| % Hydrophobic | % Polar |
|---|---|
| 52.31 | 47.69 |
| According to VolSite | |
| HET Code: | 0SJ |
|---|---|
| Formula: | C18H17ClN2O2 |
| Molecular weight: | 328.793 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.38 % |
| Polar Surface area: | 40.62 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -2.39304 | -7.85943 | 13.0108 |
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 |
| CAW | CE2 | TYR- 35 | 3.87 | 0 | Hydrophobic |
| OAB | NH1 | ARG- 70 | 3.1 | 147.45 | H-Bond (Protein Donor) |
| CAS | CB | LEU- 74 | 4.02 | 0 | Hydrophobic |
| CAI | CD1 | LEU- 74 | 3.43 | 0 | Hydrophobic |
| CL1 | CD2 | LEU- 75 | 4.2 | 0 | Hydrophobic |
| CL1 | CG | MET- 78 | 4.29 | 0 | Hydrophobic |
| CL1 | CG2 | ILE- 84 | 4.41 | 0 | Hydrophobic |
| CAM | CB | ASP- 150 | 4.09 | 0 | Hydrophobic |
| CL1 | CB | ASP- 168 | 3.78 | 0 | Hydrophobic |
| CAK | CB | ASP- 168 | 3.65 | 0 | Hydrophobic |
