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
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: | 62.959 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.874 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 52.48 | 47.52 |
| According to VolSite | |
| HET Code: | ITQ |
|---|---|
| Formula: | C28H29N4O3 |
| Molecular weight: | 469.555 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 41.21 % |
| Polar Surface area: | 74.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 8 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -49.6893 | -1.03803 | -20.4142 |
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 |
| C4 | CD1 | LEU- 718 | 4.13 | 0 | Hydrophobic |
| C3 | CD2 | LEU- 718 | 3.76 | 0 | Hydrophobic |
| C12 | CG2 | VAL- 726 | 3.93 | 0 | Hydrophobic |
| C14 | CD | LYS- 745 | 3.62 | 0 | Hydrophobic |
| O5 | N | MET- 793 | 2.83 | 140.41 | H-Bond (Protein Donor) |
| C27 | SG | CYS- 797 | 3.41 | 0 | Hydrophobic |
| N4 | OD1 | ASP- 800 | 3.55 | 0 | Ionic (Ligand Cationic) |
