sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.450 Å
X-ray
2008-08-06
| Name: | Protein farnesyltransferase subunit beta |
|---|---|
| ID: | FNTB_RAT |
| AC: | Q02293 |
| Organism: | Rattus norvegicus |
| Reign: | Eukaryota |
| TaxID: | 10116 |
| EC Number: | 2.5.1.58 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 8 % |
| B | 92 % |
| B-Factor: | 21.694 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.408 | 705.375 |
| % Hydrophobic | % Polar |
|---|---|
| 37.80 | 62.20 |
| According to VolSite | |
| HET Code: | ED2 |
|---|---|
| Formula: | C25H27N7O2S |
| Molecular weight: | 489.593 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.38 % |
| Polar Surface area: | 108.42 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 10 |
| X | Y | Z |
|---|---|---|
| 52.9037 | -50.5254 | 3.63986 |
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 |
| CAI | CD2 | LEU- 96 | 4.04 | 0 | Hydrophobic |
| CAL | CD1 | LEU- 96 | 4.27 | 0 | Hydrophobic |
| CAG | CB | SER- 99 | 4.37 | 0 | Hydrophobic |
| OAD | OH | TYR- 361 | 3.42 | 129.43 | H-Bond (Protein Donor) |
| CAZ | CB | TYR- 361 | 3.33 | 0 | Hydrophobic |
| NAX | ZN | ZN- 1001 | 2.08 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 1001 | 3.17 | 94.76 | Pi/Cation |
