sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2010-10-06
| Name: | Hemolymph juvenile hormone binding protein |
|---|---|
| ID: | Q9U556_BOMMO |
| AC: | Q9U556 |
| Organism: | Bombyx mori |
| Reign: | Eukaryota |
| TaxID: | 7091 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 43.264 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.894 | 408.375 |
| % Hydrophobic | % Polar |
|---|---|
| 76.86 | 23.14 |
| According to VolSite | |
| HET Code: | JH2 |
|---|---|
| Formula: | C17H28O3 |
| Molecular weight: | 280.402 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 73.89 % |
| Polar Surface area: | 38.83 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 16.0103 | -1.8052 | 6.7749 |
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 |
| C4 | CD1 | LEU- 6 | 4.06 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 17 | 3.58 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 17 | 4.08 | 0 | Hydrophobic |
| C4 | CB | ALA- 20 | 4.31 | 0 | Hydrophobic |
| C4 | CB | PHE- 24 | 4.43 | 0 | Hydrophobic |
| C14 | CG | PHE- 24 | 3.54 | 0 | Hydrophobic |
| C17 | CD2 | LEU- 25 | 4.4 | 0 | Hydrophobic |
| C15 | CD1 | ILE- 75 | 4.35 | 0 | Hydrophobic |
| C8 | CE1 | PHE- 78 | 3.85 | 0 | Hydrophobic |
| C15 | CE1 | PHE- 78 | 4.31 | 0 | Hydrophobic |
| C10 | CZ | PHE- 78 | 4.13 | 0 | Hydrophobic |
| C16 | CE | MET- 80 | 3.97 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 87 | 4.31 | 0 | Hydrophobic |
| C16 | CG2 | VAL- 87 | 4.07 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 89 | 4.23 | 0 | Hydrophobic |
| C17 | CD2 | LEU- 89 | 4.4 | 0 | Hydrophobic |
| O3 | OH | TYR- 128 | 2.59 | 164.67 | H-Bond (Protein Donor) |
| C16 | CD2 | TYR- 130 | 4.38 | 0 | Hydrophobic |
| C16 | CE1 | PHE- 142 | 3.64 | 0 | Hydrophobic |
| C13 | CD2 | PHE- 142 | 3.69 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 144 | 4.32 | 0 | Hydrophobic |
| C17 | CG1 | VAL- 204 | 3.49 | 0 | Hydrophobic |
| C14 | CG1 | ILE- 208 | 4.14 | 0 | Hydrophobic |
| C17 | CD1 | ILE- 208 | 4.26 | 0 | Hydrophobic |
| C13 | CG2 | ILE- 208 | 4.01 | 0 | Hydrophobic |
| C13 | CB | ALA- 212 | 3.83 | 0 | Hydrophobic |
| C12 | CD1 | PHE- 220 | 3.57 | 0 | Hydrophobic |
| C11 | CE2 | PHE- 221 | 3.67 | 0 | Hydrophobic |
