sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.740 Å
X-ray
2006-05-25
| Name: | Epidermal growth factor receptor |
|---|---|
| ID: | EGFR_HUMAN |
| AC: | P00533 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 51.844 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.155 | 560.250 |
| % Hydrophobic | % Polar |
|---|---|
| 55.42 | 44.58 |
| According to VolSite | |
| HET Code: | AEE |
|---|---|
| Formula: | C27H33N6 |
| Molecular weight: | 441.591 g/mol |
| DrugBank ID: | DB12558 |
| Buried Surface Area: | 48.76 % |
| Polar Surface area: | 61.28 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| -51.4227 | -0.0441515 | -19.3671 |
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 |
| CAL | CB | LEU- 718 | 4.49 | 0 | Hydrophobic |
| CAI | CD2 | LEU- 718 | 3.89 | 0 | Hydrophobic |
| CAK | CD1 | LEU- 718 | 3.87 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 726 | 4.47 | 0 | Hydrophobic |
| CAG | CG1 | VAL- 726 | 4.04 | 0 | Hydrophobic |
| C5 | CB | ALA- 743 | 4.16 | 0 | Hydrophobic |
| CAG | CB | ALA- 743 | 3.99 | 0 | Hydrophobic |
| CAZ | CD | LYS- 745 | 4.49 | 0 | Hydrophobic |
| CAC | CB | LYS- 745 | 3.49 | 0 | Hydrophobic |
| CAE | CE | MET- 766 | 3.63 | 0 | Hydrophobic |
| CAC | CB | LEU- 788 | 3.79 | 0 | Hydrophobic |
| CAD | CG2 | THR- 790 | 3.37 | 0 | Hydrophobic |
| NAW | O | MET- 793 | 3 | 139.02 | H-Bond (Ligand Donor) |
| N3 | N | MET- 793 | 2.76 | 158.82 | H-Bond (Protein Donor) |
| CAA | CG | GLU- 804 | 4.47 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 844 | 3.59 | 0 | Hydrophobic |
| CBE | CD1 | LEU- 844 | 4.07 | 0 | Hydrophobic |
| CAB | CG2 | THR- 854 | 4.3 | 0 | Hydrophobic |
