sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.890 Å
X-ray
2010-09-28
| Name: | Putative tyrosyl-tRNA synthetase |
|---|---|
| ID: | Q4QFJ7_LEIMA |
| AC: | Q4QFJ7 |
| Organism: | Leishmania major |
| Reign: | Eukaryota |
| TaxID: | 5664 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| D | 100 % |
| B-Factor: | 60.000 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.760 | 826.875 |
| % Hydrophobic | % Polar |
|---|---|
| 39.59 | 60.41 |
| According to VolSite | |
| HET Code: | TYE |
|---|---|
| Formula: | C9H14NO2 |
| Molecular weight: | 168.213 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 76.48 % |
| Polar Surface area: | 68.1 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 3 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 13.7702 | 26.1813 | 7.48 |
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 |
| OH | OH | TYR- 36 | 2.85 | 162.49 | H-Bond (Protein Donor) |
| CD1 | CB | ALA- 72 | 3.47 | 0 | Hydrophobic |
| CD1 | CB | PHE- 75 | 4.23 | 0 | Hydrophobic |
| N | OE1 | GLN- 167 | 3.46 | 133.7 | H-Bond (Ligand Donor) |
| CZ | CG | GLN- 167 | 3.48 | 0 | Hydrophobic |
| CE2 | CD2 | LEU- 181 | 3.77 | 0 | Hydrophobic |
| N | OE1 | GLN- 185 | 2.78 | 170.48 | H-Bond (Ligand Donor) |
