sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2009-02-13
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 5.750 | 5.750 | 5.750 | 0.000 | 5.750 | 1 |
| 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: | 34.135 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.072 | 313.875 |
| % Hydrophobic | % Polar |
|---|---|
| 56.99 | 43.01 |
| According to VolSite | |
| HET Code: | J88 |
|---|---|
| Formula: | C23H17FN2O4 |
| Molecular weight: | 404.390 g/mol |
| DrugBank ID: | DB08015 |
| Buried Surface Area: | 63.65 % |
| Polar Surface area: | 71.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 22.0191 | 28.642 | 21.7464 |
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 |
| C12 | CG2 | ILE- 26 | 4.09 | 0 | Hydrophobic |
| C9 | CD1 | ILE- 26 | 4.29 | 0 | Hydrophobic |
| C20 | CD1 | ILE- 26 | 4.09 | 0 | Hydrophobic |
| C24 | CD1 | ILE- 26 | 3.91 | 0 | Hydrophobic |
| C13 | CB | ILE- 26 | 4.14 | 0 | Hydrophobic |
| C30 | CG | GLN- 31 | 3.21 | 0 | Hydrophobic |
| C22 | CG | GLN- 31 | 3.63 | 0 | Hydrophobic |
| C22 | CG2 | VAL- 34 | 3.44 | 0 | Hydrophobic |
| C25 | CG1 | VAL- 34 | 3.44 | 0 | Hydrophobic |
| C30 | CG1 | VAL- 34 | 3.41 | 0 | Hydrophobic |
| C27 | CB | ALA- 47 | 3.42 | 0 | Hydrophobic |
| C29 | CB | LYS- 49 | 4.02 | 0 | Hydrophobic |
| C26 | SD | MET- 102 | 4.42 | 0 | Hydrophobic |
| C27 | CB | MET- 102 | 3.77 | 0 | Hydrophobic |
| C28 | SD | MET- 102 | 3.53 | 0 | Hydrophobic |
| O1 | O | GLU- 103 | 3.21 | 155.16 | H-Bond (Ligand Donor) |
| F11 | CD1 | LEU- 104 | 3.81 | 0 | Hydrophobic |
| O1 | N | MET- 105 | 2.8 | 162.41 | H-Bond (Protein Donor) |
| O5 | N | MET- 105 | 3.24 | 126.41 | H-Bond (Protein Donor) |
| C24 | CG1 | VAL- 152 | 4.02 | 0 | Hydrophobic |
| C23 | CD1 | LEU- 162 | 3.93 | 0 | Hydrophobic |
| C26 | CD2 | LEU- 162 | 3.73 | 0 | Hydrophobic |
