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 | 21 % |
| B | 79 % |
| B-Factor: | 24.336 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.714 | 1053.000 |
| % Hydrophobic | % Polar |
|---|---|
| 37.82 | 62.18 |
| According to VolSite | |
| HET Code: | ED4 |
|---|---|
| Formula: | C29H40N8O4S |
| Molecular weight: | 596.744 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.09 % |
| Polar Surface area: | 137.96 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 12 |
| X | Y | Z |
|---|---|---|
| -70.7715 | -20.4883 | 1.47974 |
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 |
| CBE | CD1 | LEU- 96 | 4.4 | 0 | Hydrophobic |
| CAL | CD2 | LEU- 96 | 4.46 | 0 | Hydrophobic |
| OAG | NE1 | TRP- 102 | 2.83 | 131.78 | H-Bond (Protein Donor) |
| CAE | CB | ALA- 129 | 4.29 | 0 | Hydrophobic |
| CAE | CD2 | TYR- 131 | 4.39 | 0 | Hydrophobic |
| CAD | CE2 | TYR- 131 | 4.46 | 0 | Hydrophobic |
| CAD | CB | ALA- 151 | 4.4 | 0 | Hydrophobic |
| CAA | CZ | TYR- 300 | 4.33 | 0 | Hydrophobic |
| CAK | CB | ASP- 359 | 4.3 | 0 | Hydrophobic |
| CAX | CZ | TYR- 361 | 4.14 | 0 | Hydrophobic |
| CAZ | CE1 | TYR- 361 | 3.83 | 0 | Hydrophobic |
| CBE | CB | TYR- 361 | 3.43 | 0 | Hydrophobic |
| NBA | ZN | ZN- 1001 | 2.28 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 1001 | 3.39 | 94.43 | Pi/Cation |
