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
2015-03-12
| Name: | Histidyl-tRNA synthetase, putative |
|---|---|
| ID: | Q4DA54_TRYCC |
| AC: | Q4DA54 |
| Organism: | Trypanosoma cruzi |
| Reign: | Eukaryota |
| TaxID: | 353153 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 42.782 |
|---|---|
| Number of residues: | 18 |
| Including | |
| Standard Amino Acids: | 17 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.131 | 951.750 |
| % Hydrophobic | % Polar |
|---|---|
| 31.21 | 68.79 |
| According to VolSite | |
| HET Code: | 5IQ |
|---|---|
| Formula: | C9H8N2 |
| Molecular weight: | 144.173 g/mol |
| DrugBank ID: | DB04605 |
| Buried Surface Area: | 59.45 % |
| Polar Surface area: | 38.9 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 63.9422 | 8.20536 | 19.338 |
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 |
| CAG | CB | CYS- 154 | 4.46 | 0 | Hydrophobic |
| DuAr | CZ | ARG- 156 | 3.93 | 25.19 | Pi/Cation |
| CAC | CB | ARG- 156 | 3.72 | 0 | Hydrophobic |
| CAB | CD | ARG- 156 | 3.64 | 0 | Hydrophobic |
| CAA | CB | HIS- 168 | 4.44 | 0 | Hydrophobic |
| DuAr | DuAr | HIS- 168 | 3.85 | 0 | Aromatic Face/Face |
| DuAr | DuAr | HIS- 168 | 3.85 | 0 | Aromatic Face/Face |
