2.080 Å
X-ray
2002-01-10
| Name: | Odorant-binding protein |
|---|---|
| ID: | OBP_BOVIN |
| AC: | P07435 |
| Organism: | Bos taurus |
| Reign: | Eukaryota |
| TaxID: | 9913 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 29.007 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.837 | 459.000 |
| % Hydrophobic | % Polar |
|---|---|
| 78.68 | 21.32 |
| According to VolSite | |

| HET Code: | BZQ |
|---|---|
| Formula: | C13H10O |
| Molecular weight: | 182.218 g/mol |
| DrugBank ID: | DB01878 |
| Buried Surface Area: | 66.46 % |
| Polar Surface area: | 17.07 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -0.317 | -1.03264 | 6.48314 |
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 |
| C10 | CD1 | ILE- 22 | 4.26 | 0 | Hydrophobic |
| C11 | CG2 | ILE- 22 | 4.26 | 0 | Hydrophobic |
| O | OG1 | THR- 38 | 2.82 | 147.99 | H-Bond (Protein Donor) |
| C1 | CG2 | VAL- 69 | 4.34 | 0 | Hydrophobic |
| C2 | CG1 | VAL- 69 | 4.17 | 0 | Hydrophobic |
| C2 | CB | TYR- 83 | 3.95 | 0 | Hydrophobic |
| C3 | CB | ASN- 87 | 4.39 | 0 | Hydrophobic |
| C13 | CB | ALA- 101 | 4.04 | 0 | Hydrophobic |
| C12 | CB | ASN- 103 | 3.94 | 0 | Hydrophobic |
| C13 | CB | ASN- 103 | 3.65 | 0 | Hydrophobic |
| C11 | CB | LEU- 115 | 3.75 | 0 | Hydrophobic |