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
2008-12-22
| 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: | 26.608 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.080 | 401.625 |
| % Hydrophobic | % Polar |
|---|---|
| 64.71 | 35.29 |
| According to VolSite | |
| HET Code: | FMJ |
|---|---|
| Formula: | C14H12N4O |
| Molecular weight: | 252.271 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.28 % |
| Polar Surface area: | 77.83 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 19.5491 | 11.5116 | 31.8593 |
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 |
| C8 | CG2 | VAL- 38 | 4.33 | 0 | Hydrophobic |
| C11 | CB | ALA- 51 | 4.12 | 0 | Hydrophobic |
| C8 | CB | ALA- 51 | 4.08 | 0 | Hydrophobic |
| N4 | NZ | LYS- 53 | 3.36 | 167.62 | H-Bond (Protein Donor) |
| C3 | CD | LYS- 53 | 3.6 | 0 | Hydrophobic |
| C14 | CB | LYS- 53 | 3.58 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 75 | 3.95 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 84 | 3.85 | 0 | Hydrophobic |
| C17 | CB | LEU- 104 | 3.69 | 0 | Hydrophobic |
| C11 | CG2 | THR- 106 | 3.63 | 0 | Hydrophobic |
| C14 | CG2 | THR- 106 | 3.57 | 0 | Hydrophobic |
| N18 | N | MET- 109 | 2.93 | 163.65 | H-Bond (Protein Donor) |
| C12 | CE | MET- 109 | 4.26 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 167 | 4.18 | 0 | Hydrophobic |
