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
2012-09-03
| Name: | Mitogen-activated protein kinase 7 |
|---|---|
| ID: | MK07_HUMAN |
| AC: | Q13164 |
| 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: | 59.444 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.089 | 826.875 |
| % Hydrophobic | % Polar |
|---|---|
| 47.35 | 52.65 |
| According to VolSite | |
| HET Code: | R4L |
|---|---|
| Formula: | C35H45N8O3 |
| Molecular weight: | 625.784 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 47.14 % |
| Polar Surface area: | 98.58 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 2 |
| Rings: | 7 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -44.3016 | 0.451217 | -11.3868 |
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 |
| CAA | CD1 | ILE- 61 | 3.91 | 0 | Hydrophobic |
| CAR | CG2 | ILE- 61 | 4.45 | 0 | Hydrophobic |
| CAN | CG2 | ILE- 61 | 3.62 | 0 | Hydrophobic |
| CAM | CG2 | ILE- 61 | 3.71 | 0 | Hydrophobic |
| CAP | CG1 | VAL- 69 | 3.37 | 0 | Hydrophobic |
| CAN | CB | VAL- 69 | 4.01 | 0 | Hydrophobic |
| CAJ | CD1 | ILE- 115 | 4.11 | 0 | Hydrophobic |
| N1 | N | MET- 140 | 3.17 | 162.58 | H-Bond (Protein Donor) |
| NBB | O | MET- 140 | 3.09 | 163.3 | H-Bond (Ligand Donor) |
| CAH | CB | ASP- 143 | 4.42 | 0 | Hydrophobic |
| CAI | CD2 | LEU- 189 | 4.27 | 0 | Hydrophobic |
| CAK | CD2 | LEU- 189 | 3.66 | 0 | Hydrophobic |
| CBJ | CD1 | LEU- 189 | 3.82 | 0 | Hydrophobic |
| CAF | CB | ASP- 200 | 3.78 | 0 | Hydrophobic |
| OAE | O | HOH- 2002 | 3.44 | 129.79 | H-Bond (Protein Donor) |
