sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2013-04-03
| Name: | Egl nine homolog 1 |
|---|---|
| ID: | EGLN1_HUMAN |
| AC: | Q9GZT9 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 24.932 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.640 | 334.125 |
| % Hydrophobic | % Polar |
|---|---|
| 51.52 | 48.48 |
| According to VolSite | |
| HET Code: | 4JR |
|---|---|
| Formula: | C25H29N4O |
| Molecular weight: | 401.524 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 47.83 % |
| Polar Surface area: | 42.57 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 44.6887 | 24.1904 | -7.2628 |
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 |
| C14 | CG2 | THR- 296 | 4.24 | 0 | Hydrophobic |
| C19 | CG2 | THR- 296 | 3.76 | 0 | Hydrophobic |
| C24 | SD | MET- 299 | 4.01 | 0 | Hydrophobic |
| C25 | CE | MET- 299 | 4.47 | 0 | Hydrophobic |
| C1 | CZ | TYR- 303 | 4.14 | 0 | Hydrophobic |
| C5 | CE2 | TYR- 310 | 3.62 | 0 | Hydrophobic |
| C7 | CZ | TYR- 310 | 4.26 | 0 | Hydrophobic |
| C1 | CD1 | TYR- 310 | 3.99 | 0 | Hydrophobic |
| O | NH1 | ARG- 322 | 2.91 | 166.51 | H-Bond (Protein Donor) |
| C19 | CD | ARG- 322 | 4.32 | 0 | Hydrophobic |
| C14 | CD | ARG- 322 | 4.04 | 0 | Hydrophobic |
| DuAr | CZ | ARG- 322 | 3.71 | 173.19 | Pi/Cation |
| C8 | CZ2 | TRP- 389 | 4.41 | 0 | Hydrophobic |
| C24 | CH2 | TRP- 389 | 3.71 | 0 | Hydrophobic |
| C25 | CZ2 | TRP- 389 | 3.26 | 0 | Hydrophobic |
