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
2000-04-17
| Name: | 6-deoxyerythronolide B hydroxylase |
|---|---|
| ID: | CPXJ_SACEN |
| AC: | Q00441 |
| Organism: | Saccharopolyspora erythraea |
| Reign: | Bacteria |
| TaxID: | 405948 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 22.880 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.582 | 1360.125 |
| % Hydrophobic | % Polar |
|---|---|
| 54.59 | 45.41 |
| According to VolSite | |
| HET Code: | ASD |
|---|---|
| Formula: | C19H26O2 |
| Molecular weight: | 286.409 g/mol |
| DrugBank ID: | DB01536 |
| Buried Surface Area: | 58.5 % |
| 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: | 0 |
| X | Y | Z |
|---|---|---|
| -12.5225 | 9.92343 | 12.9556 |
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 |
| O2 | ND2 | ASN- 89 | 3.07 | 133.48 | H-Bond (Protein Donor) |
| C16 | CG2 | THR- 92 | 3.8 | 0 | Hydrophobic |
| C12 | CG2 | VAL- 237 | 3.93 | 0 | Hydrophobic |
| C9 | CB | ALA- 241 | 4.36 | 0 | Hydrophobic |
| C1 | CB | ALA- 241 | 3.68 | 0 | Hydrophobic |
| C2 | CB | ALA- 245 | 3.68 | 0 | Hydrophobic |
| C19 | CG | PRO- 288 | 4.07 | 0 | Hydrophobic |
