sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.210 Å
X-ray
2004-09-02
| 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: | 25.279 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.064 | 850.500 |
| % Hydrophobic | % Polar |
|---|---|
| 50.00 | 50.00 |
| According to VolSite | |
| HET Code: | 3IP |
|---|---|
| Formula: | C12H12N2O |
| Molecular weight: | 200.236 g/mol |
| DrugBank ID: | DB02352 |
| Buried Surface Area: | 62.09 % |
| Polar Surface area: | 48.14 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 19.7325 | 32.1202 | 30.1011 |
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 |
| C5 | CG1 | VAL- 30 | 4.44 | 0 | Hydrophobic |
| C6 | CB | TYR- 35 | 4.45 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 38 | 4.12 | 0 | Hydrophobic |
| C9 | CG2 | VAL- 38 | 4.13 | 0 | Hydrophobic |
| C9 | CB | ALA- 51 | 4.26 | 0 | Hydrophobic |
| C11 | CB | ALA- 51 | 4.25 | 0 | Hydrophobic |
| C7 | CB | ALA- 51 | 3.59 | 0 | Hydrophobic |
| C11 | CB | LYS- 53 | 3.86 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 75 | 3.88 | 0 | Hydrophobic |
| C13 | CB | LEU- 104 | 3.66 | 0 | Hydrophobic |
| N1 | OG1 | THR- 106 | 3.47 | 130.78 | H-Bond (Ligand Donor) |
| C13 | CG2 | THR- 106 | 3.6 | 0 | Hydrophobic |
| N1 | O | HIS- 107 | 2.8 | 130.37 | H-Bond (Ligand Donor) |
| N3 | N | MET- 109 | 3 | 154.25 | H-Bond (Protein Donor) |
