sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.950 Å
X-ray
2004-12-18
| Name: | Estradiol 17-beta-dehydrogenase 11 |
|---|---|
| ID: | DHB11_HUMAN |
| AC: | Q8NBQ5 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 1.1.1.62 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 54 % |
| B | 46 % |
| B-Factor: | 30.293 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.210 | 354.375 |
| % Hydrophobic | % Polar |
|---|---|
| 57.14 | 42.86 |
| According to VolSite | |
| HET Code: | AOI |
|---|---|
| Formula: | C19H30O2 |
| Molecular weight: | 290.440 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 45.3 % |
| Polar Surface area: | 37.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 21.2391 | -30.7622 | 4.03943 |
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 |
| C15 | CG2 | THR- 147 | 4.26 | 0 | Hydrophobic |
| C16 | CG | LYS- 148 | 3.82 | 0 | Hydrophobic |
| C6 | CG | LEU- 151 | 4.25 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 151 | 4.39 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 151 | 4.26 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 151 | 4.34 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 151 | 3.94 | 0 | Hydrophobic |
| C6 | CG | PRO- 152 | 4.16 | 0 | Hydrophobic |
| C4 | CG2 | THR- 155 | 4.01 | 0 | Hydrophobic |
| C12 | CG1 | VAL- 174 | 4.06 | 0 | Hydrophobic |
| C16 | CD2 | LEU- 178 | 4.22 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 178 | 4.06 | 0 | Hydrophobic |
| C18 | CD1 | LEU- 194 | 3.74 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 201 | 4.03 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 201 | 4.06 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 203 | 3.93 | 0 | Hydrophobic |
| C1 | CD1 | ILE- 267 | 3.97 | 0 | Hydrophobic |
| O17 | O | HOH- 618 | 2.79 | 166.9 | H-Bond (Protein Donor) |
| O17 | O | HOH- 620 | 3.46 | 154.84 | H-Bond (Protein Donor) |
