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
2007-03-08
| 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: | 40.971 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.405 | 1417.500 |
| % Hydrophobic | % Polar |
|---|---|
| 53.10 | 46.90 |
| According to VolSite | |
| HET Code: | J07 |
|---|---|
| Formula: | C20H23ClN6O |
| Molecular weight: | 398.889 g/mol |
| DrugBank ID: | DB08005 |
| Buried Surface Area: | 55.19 % |
| Polar Surface area: | 85.94 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 23.1705 | 8.55404 | 31.0089 |
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 |
| C09 | CD1 | ILE- 70 | 4.14 | 0 | Hydrophobic |
| C10 | CB | ILE- 70 | 3.94 | 0 | Hydrophobic |
| C26 | CG2 | VAL- 78 | 3.63 | 0 | Hydrophobic |
| C16 | CB | ALA- 91 | 3.81 | 0 | Hydrophobic |
| CL1 | CG1 | ILE- 124 | 3.92 | 0 | Hydrophobic |
| CL1 | SD | MET- 146 | 3.36 | 0 | Hydrophobic |
| N12 | O | MET- 149 | 3.08 | 176.52 | H-Bond (Ligand Donor) |
| N18 | N | MET- 149 | 2.94 | 164.97 | H-Bond (Protein Donor) |
| O05 | N | ASN- 152 | 3.28 | 169.55 | H-Bond (Protein Donor) |
| C07 | CB | ASN- 152 | 4.35 | 0 | Hydrophobic |
| C08 | CG1 | VAL- 196 | 3.85 | 0 | Hydrophobic |
| CL1 | CD2 | LEU- 206 | 4 | 0 | Hydrophobic |
| C26 | CD1 | LEU- 206 | 4.09 | 0 | Hydrophobic |
