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
2009-11-30
| Name: | Mitogen-activated protein kinase 10 |
|---|---|
| ID: | MK10_HUMAN |
| AC: | P53779 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.24 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 32.826 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.465 | 695.250 |
| % Hydrophobic | % Polar |
|---|---|
| 41.75 | 58.25 |
| According to VolSite | |
| HET Code: | FMY |
|---|---|
| Formula: | C26H27FN8O2 |
| Molecular weight: | 502.543 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 63.84 % |
| Polar Surface area: | 92.4 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 9 |
| H-Bond Donors: | 1 |
| Rings: | 6 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -26.4243 | 33.6184 | 12.3075 |
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 |
| C08 | CG2 | ILE- 70 | 4.17 | 0 | Hydrophobic |
| C13 | CG2 | ILE- 70 | 3.83 | 0 | Hydrophobic |
| C22 | CG1 | ILE- 70 | 4.41 | 0 | Hydrophobic |
| C34 | CD1 | ILE- 70 | 4.01 | 0 | Hydrophobic |
| C24 | CD1 | ILE- 70 | 3.73 | 0 | Hydrophobic |
| C12 | CB | ALA- 74 | 4.16 | 0 | Hydrophobic |
| C15 | CB | ALA- 74 | 3.66 | 0 | Hydrophobic |
| C09 | CG2 | VAL- 78 | 4.22 | 0 | Hydrophobic |
| C01 | CG1 | VAL- 78 | 3.64 | 0 | Hydrophobic |
| C03 | CG2 | VAL- 78 | 3.61 | 0 | Hydrophobic |
| C34 | CB | ALA- 91 | 4.47 | 0 | Hydrophobic |
| C04 | CD | LYS- 93 | 4.2 | 0 | Hydrophobic |
| N18 | NZ | LYS- 93 | 2.69 | 120.76 | H-Bond (Protein Donor) |
| DuAr | NZ | LYS- 93 | 3.76 | 67.28 | Pi/Cation |
| C02 | CE | MET- 146 | 3.9 | 0 | Hydrophobic |
| C23 | SD | MET- 146 | 4.43 | 0 | Hydrophobic |
| C34 | CD1 | LEU- 148 | 3.85 | 0 | Hydrophobic |
| C34 | CB | MET- 149 | 3.58 | 0 | Hydrophobic |
| C14 | CB | ASN- 152 | 3.78 | 0 | Hydrophobic |
| C07 | CB | ASN- 152 | 4.01 | 0 | Hydrophobic |
| C10 | CB | SER- 193 | 3.91 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 196 | 4.34 | 0 | Hydrophobic |
| C34 | CG1 | VAL- 196 | 4.2 | 0 | Hydrophobic |
| C08 | CG1 | VAL- 196 | 3.78 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 206 | 4.24 | 0 | Hydrophobic |
| C04 | CD1 | LEU- 206 | 3.43 | 0 | Hydrophobic |
