sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2005-04-26
| Name: | Oxysterol-binding protein homolog 4 |
|---|---|
| ID: | KES1_YEAST |
| AC: | P35844 |
| Organism: | Saccharomyces cerevisiae |
| Reign: | Eukaryota |
| TaxID: | 559292 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 22.798 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.809 | 988.875 |
| % Hydrophobic | % Polar |
|---|---|
| 62.12 | 37.88 |
| According to VolSite | |
| HET Code: | ERG |
|---|---|
| Formula: | C28H44O |
| Molecular weight: | 396.648 g/mol |
| DrugBank ID: | DB04038 |
| Buried Surface Area: | 64.47 % |
| Polar Surface area: | 20.23 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 55.9341 | 33.9494 | 28.8809 |
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 |
| C26 | CH2 | TRP- 10 | 4.4 | 0 | Hydrophobic |
| C26 | CZ | PHE- 13 | 3.62 | 0 | Hydrophobic |
| C27 | CD1 | LEU- 27 | 4.33 | 0 | Hydrophobic |
| C26 | CG1 | ILE- 33 | 4.19 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 39 | 4.25 | 0 | Hydrophobic |
| C9 | CD2 | LEU- 39 | 3.94 | 0 | Hydrophobic |
| C9 | CE2 | PHE- 42 | 3.98 | 0 | Hydrophobic |
| C14 | CE2 | PHE- 42 | 4.31 | 0 | Hydrophobic |
| C1 | CD2 | PHE- 42 | 4.1 | 0 | Hydrophobic |
| C3 | CD2 | PHE- 42 | 4.17 | 0 | Hydrophobic |
| C4 | CB | GLN- 96 | 4.4 | 0 | Hydrophobic |
| O1 | OE1 | GLN- 96 | 2.77 | 161.23 | H-Bond (Ligand Donor) |
| C4 | CE2 | TYR- 97 | 3.52 | 0 | Hydrophobic |
| C28 | CG | GLU- 107 | 4.3 | 0 | Hydrophobic |
| C16 | CG | GLU- 107 | 3.52 | 0 | Hydrophobic |
| C24 | CB | LYS- 109 | 4.28 | 0 | Hydrophobic |
| C12 | CG | PRO- 110 | 4.47 | 0 | Hydrophobic |
| C17 | CG | PRO- 110 | 4.38 | 0 | Hydrophobic |
| C2 | CB | ASN- 165 | 4.42 | 0 | Hydrophobic |
| C19 | CG2 | ILE- 167 | 3.93 | 0 | Hydrophobic |
| C21 | CD1 | ILE- 167 | 4.49 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 167 | 3.8 | 0 | Hydrophobic |
| C20 | CD2 | LEU- 177 | 4.21 | 0 | Hydrophobic |
| C18 | CG2 | VAL- 179 | 4.11 | 0 | Hydrophobic |
| C19 | CG | GLN- 181 | 4.42 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 201 | 4.43 | 0 | Hydrophobic |
| C16 | CG1 | ILE- 203 | 4.36 | 0 | Hydrophobic |
| C18 | CD1 | ILE- 203 | 3.73 | 0 | Hydrophobic |
| C26 | CD1 | ILE- 206 | 4.17 | 0 | Hydrophobic |
| C28 | CB | PRO- 211 | 3.81 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 213 | 4.07 | 0 | Hydrophobic |
