sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2004-09-16
| 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: | 20.127 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.063 | 570.375 |
| % Hydrophobic | % Polar |
|---|---|
| 50.30 | 49.70 |
| According to VolSite | |
| HET Code: | L10 |
|---|---|
| Formula: | C20H21ClN4O |
| Molecular weight: | 368.860 g/mol |
| DrugBank ID: | DB01807 |
| Buried Surface Area: | 69.37 % |
| Polar Surface area: | 56.73 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 7.2115 | 14.9715 | 36.6852 |
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 |
| CL16 | CG1 | VAL- 38 | 4.02 | 0 | Hydrophobic |
| CL16 | CB | ALA- 51 | 3.3 | 0 | Hydrophobic |
| C14 | CB | LYS- 53 | 3.73 | 0 | Hydrophobic |
| C24 | CG | ARG- 67 | 4.09 | 0 | Hydrophobic |
| C23 | CD | ARG- 70 | 4.45 | 0 | Hydrophobic |
| N11 | OE2 | GLU- 71 | 3.04 | 128.62 | H-Bond (Ligand Donor) |
| N8 | OE2 | GLU- 71 | 3.17 | 147.69 | H-Bond (Ligand Donor) |
| C23 | CB | GLU- 71 | 3.82 | 0 | Hydrophobic |
| C21 | CG | GLU- 71 | 3.9 | 0 | Hydrophobic |
| C3 | CG | LEU- 74 | 4.13 | 0 | Hydrophobic |
| C22 | CD2 | LEU- 74 | 3.7 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 75 | 3.92 | 0 | Hydrophobic |
| C3 | SD | MET- 78 | 4.07 | 0 | Hydrophobic |
| C1 | CG1 | VAL- 83 | 4.47 | 0 | Hydrophobic |
| C18 | CD1 | ILE- 84 | 3.57 | 0 | Hydrophobic |
| C13 | CB | LEU- 104 | 4.22 | 0 | Hydrophobic |
| CL16 | CG2 | THR- 106 | 3.79 | 0 | Hydrophobic |
| C4 | CG2 | ILE- 146 | 4.13 | 0 | Hydrophobic |
| C1 | CG2 | ILE- 166 | 4.1 | 0 | Hydrophobic |
| C18 | CD1 | LEU- 167 | 3.94 | 0 | Hydrophobic |
| O10 | N | ASP- 168 | 2.78 | 168.55 | H-Bond (Protein Donor) |
| C26 | CB | ASP- 168 | 4.14 | 0 | Hydrophobic |
