sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.350 Å
X-ray
2006-03-27
| Name: | Mitogen-activated protein kinase 14 |
|---|---|
| ID: | MK14_MOUSE |
| AC: | P47811 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 45.836 |
|---|---|
| Number of residues: | 37 |
| Including | |
| Standard Amino Acids: | 37 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.190 | 847.125 |
| % Hydrophobic | % Polar |
|---|---|
| 49.80 | 50.20 |
| According to VolSite | |
| HET Code: | LIC |
|---|---|
| Formula: | C24H28ClN5O3 |
| Molecular weight: | 469.964 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 64.08 % |
| Polar Surface area: | 99.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 3.32497 | -1.09048 | 21.7056 |
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 |
| C45 | CG1 | VAL- 30 | 3.43 | 0 | Hydrophobic |
| C22 | CG2 | VAL- 38 | 4.02 | 0 | Hydrophobic |
| CL16 | CB | VAL- 38 | 4.16 | 0 | Hydrophobic |
| C12 | CG2 | VAL- 38 | 3.87 | 0 | Hydrophobic |
| C22 | CB | ALA- 51 | 3.97 | 0 | Hydrophobic |
| C35 | CB | ALA- 51 | 3.69 | 0 | Hydrophobic |
| C25 | CB | LYS- 53 | 3.62 | 0 | Hydrophobic |
| C31 | CD1 | LEU- 75 | 3.87 | 0 | Hydrophobic |
| C24 | CG2 | ILE- 84 | 4.35 | 0 | Hydrophobic |
| C35 | CD1 | ILE- 84 | 3.59 | 0 | Hydrophobic |
| C31 | CD2 | LEU- 86 | 3.71 | 0 | Hydrophobic |
| C21 | CB | LEU- 104 | 4.38 | 0 | Hydrophobic |
| C31 | CB | LEU- 104 | 3.89 | 0 | Hydrophobic |
| C31 | CB | THR- 106 | 3.66 | 0 | Hydrophobic |
| C35 | CG2 | THR- 106 | 3.63 | 0 | Hydrophobic |
| C21 | CG2 | THR- 106 | 3.82 | 0 | Hydrophobic |
| N39 | N | MET- 109 | 3.23 | 162.57 | H-Bond (Protein Donor) |
| N36 | O | MET- 109 | 3.2 | 171.88 | H-Bond (Ligand Donor) |
| C51 | CD2 | LEU- 167 | 3.65 | 0 | Hydrophobic |
