sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
1998-07-23
| 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: | 45.633 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.864 | 459.000 |
| % Hydrophobic | % Polar |
|---|---|
| 44.85 | 55.15 |
| According to VolSite | |
| HET Code: | SB5 |
|---|---|
| Formula: | C17H16FN5 |
| Molecular weight: | 309.341 g/mol |
| DrugBank ID: | DB03980 |
| Buried Surface Area: | 63.09 % |
| Polar Surface area: | 69.62 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 2.17843 | 11.8835 | 28.7224 |
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 |
| CA4 | CG2 | VAL- 38 | 4.46 | 0 | Hydrophobic |
| CE3 | CG2 | VAL- 38 | 3.42 | 0 | Hydrophobic |
| CB6 | CB | ALA- 51 | 3.77 | 0 | Hydrophobic |
| CA4 | CB | ALA- 51 | 4.12 | 0 | Hydrophobic |
| NC4 | NZ | LYS- 53 | 2.87 | 162.92 | H-Bond (Protein Donor) |
| CA4 | CB | LYS- 53 | 3.54 | 0 | Hydrophobic |
| CA1 | CD2 | LEU- 75 | 4.4 | 0 | Hydrophobic |
| CA1 | CD1 | ILE- 84 | 3.73 | 0 | Hydrophobic |
| FA1 | CD2 | LEU- 86 | 3.93 | 0 | Hydrophobic |
| FA1 | CB | LEU- 104 | 3.27 | 0 | Hydrophobic |
| FA1 | CB | THR- 106 | 3.59 | 0 | Hydrophobic |
| CB6 | CG2 | THR- 106 | 3.87 | 0 | Hydrophobic |
| CA2 | CG2 | THR- 106 | 3.47 | 0 | Hydrophobic |
| NB2 | N | MET- 109 | 2.86 | 170.98 | H-Bond (Protein Donor) |
| CB6 | CG | MET- 109 | 4.2 | 0 | Hydrophobic |
| NB7 | O | MET- 109 | 3.44 | 124.01 | H-Bond (Ligand Donor) |
