sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.320 Å
X-ray
2013-07-13
| 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 | 92 % |
| C | 8 % |
| B-Factor: | 32.138 |
|---|---|
| Number of residues: | 39 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.460 | 668.250 |
| % Hydrophobic | % Polar |
|---|---|
| 52.02 | 47.98 |
| According to VolSite | |
| HET Code: | SB4 |
|---|---|
| Formula: | C18H20FN6 |
| Molecular weight: | 339.390 g/mol |
| DrugBank ID: | DB04338 |
| Buried Surface Area: | 59.35 % |
| Polar Surface area: | 86.23 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 7.19576 | -7.36952 | 36.7565 |
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 |
| CB6 | CG2 | VAL- 38 | 4.1 | 0 | Hydrophobic |
| CB1 | CG1 | VAL- 38 | 3.45 | 0 | Hydrophobic |
| CC1 | CB | ALA- 51 | 4.02 | 0 | Hydrophobic |
| CB1 | CB | ALA- 51 | 3.65 | 0 | Hydrophobic |
| CB3 | CB | LYS- 53 | 4.08 | 0 | Hydrophobic |
| CB5 | CD | LYS- 53 | 4.02 | 0 | Hydrophobic |
| CB2 | CB | LYS- 53 | 3.83 | 0 | Hydrophobic |
| CB4 | CG2 | ILE- 84 | 4.15 | 0 | Hydrophobic |
| CC1 | CD1 | ILE- 84 | 4.28 | 0 | Hydrophobic |
| FB7 | CD2 | LEU- 86 | 4.34 | 0 | Hydrophobic |
| FB7 | CB | LEU- 104 | 3.6 | 0 | Hydrophobic |
| CC1 | CG2 | THR- 106 | 4.15 | 0 | Hydrophobic |
| CB3 | CG2 | THR- 106 | 3.37 | 0 | Hydrophobic |
| NC5 | N | MET- 109 | 3.19 | 162.67 | H-Bond (Protein Donor) |
| NC7 | O | MET- 109 | 3.05 | 123.63 | H-Bond (Ligand Donor) |
| NA3 | OD2 | ASP- 112 | 3.29 | 163.44 | H-Bond (Ligand Donor) |
| NA3 | OD2 | ASP- 112 | 3.29 | 0 | Ionic (Ligand Cationic) |
| CA5 | CD1 | LEU- 167 | 3.6 | 0 | Hydrophobic |
| CB5 | CD1 | LEU- 167 | 4.22 | 0 | Hydrophobic |
| ND3 | O | HOH- 586 | 2.63 | 179.94 | H-Bond (Protein Donor) |
