sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2014-03-05
| Name: | Farnesyltransferase, putative |
|---|---|
| ID: | Q4CWB4_TRYCC |
| AC: | Q4CWB4 |
| Organism: | Trypanosoma cruzi |
| Reign: | Eukaryota |
| TaxID: | 353153 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 100 % |
| B-Factor: | 46.608 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.286 | 1285.875 |
| % Hydrophobic | % Polar |
|---|---|
| 41.99 | 58.01 |
| According to VolSite | |
| HET Code: | RWZ |
|---|---|
| Formula: | C22H39N2 |
| Molecular weight: | 331.558 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 52.71 % |
| Polar Surface area: | 28.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| -33.527 | 48.8338 | -43.8233 |
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 |
| CAB | CZ | PHE- 45 | 3.61 | 0 | Hydrophobic |
| CAA | CD2 | PHE- 63 | 3.3 | 0 | Hydrophobic |
| CAA | CB | TYR- 64 | 3.97 | 0 | Hydrophobic |
| CAB | CD1 | TYR- 64 | 3.78 | 0 | Hydrophobic |
| CAC | CE1 | TYR- 64 | 4.04 | 0 | Hydrophobic |
| CAF | CD1 | TYR- 64 | 3.5 | 0 | Hydrophobic |
| CAC | CB | LEU- 67 | 4.06 | 0 | Hydrophobic |
| CAJ | CD1 | LEU- 67 | 4.2 | 0 | Hydrophobic |
| CAC | CD | ARG- 68 | 4.31 | 0 | Hydrophobic |
| NAP | OD1 | ASP- 71 | 3.65 | 0 | Ionic (Ligand Cationic) |
| NAP | O | VAL- 167 | 3.5 | 144.65 | H-Bond (Ligand Donor) |
| CAA | CG1 | VAL- 171 | 4.38 | 0 | Hydrophobic |
| CAB | CG1 | VAL- 171 | 4.14 | 0 | Hydrophobic |
| CAF | CG1 | VAL- 171 | 4.14 | 0 | Hydrophobic |
| CAJ | CG2 | VAL- 171 | 3.52 | 0 | Hydrophobic |
| CAA | CD2 | LEU- 175 | 4.4 | 0 | Hydrophobic |
| CAU | CB | LEU- 203 | 4.45 | 0 | Hydrophobic |
| CAO | CB | ASN- 207 | 4.2 | 0 | Hydrophobic |
