sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2014-08-08
| Name: | Cytochrome P450 family 17 polypeptide 2 |
|---|---|
| ID: | A7U483_DANRE |
| AC: | A7U483 |
| Organism: | Danio rerio |
| Reign: | Eukaryota |
| TaxID: | 7955 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 37.704 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.341 | 2284.875 |
| % Hydrophobic | % Polar |
|---|---|
| 54.36 | 45.64 |
| According to VolSite | |
| HET Code: | STR |
|---|---|
| Formula: | C21H30O2 |
| Molecular weight: | 314.462 g/mol |
| DrugBank ID: | DB00396 |
| Buried Surface Area: | 51.21 % |
| Polar Surface area: | 34.14 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 5.64722 | 2.71509 | 0.764478 |
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 | CB | ALA- 120 | 3.75 | 0 | Hydrophobic |
| C6 | CE2 | PHE- 121 | 3.85 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 213 | 4.02 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 216 | 4.35 | 0 | Hydrophobic |
| C14 | CB | ALA- 302 | 4.04 | 0 | Hydrophobic |
| C12 | CG2 | THR- 306 | 4.27 | 0 | Hydrophobic |
| O20 | OG | SER- 367 | 3.15 | 124.48 | H-Bond (Protein Donor) |
| C21 | CB | SER- 367 | 4.21 | 0 | Hydrophobic |
| C21 | CD2 | LEU- 370 | 4.41 | 0 | Hydrophobic |
| C18 | CG1 | ILE- 371 | 3.44 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 371 | 3.69 | 0 | Hydrophobic |
| C16 | CD1 | ILE- 371 | 3.61 | 0 | Hydrophobic |
| C19 | CB | VAL- 480 | 4.44 | 0 | Hydrophobic |
| C1 | CG2 | VAL- 480 | 3.76 | 0 | Hydrophobic |
