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
2004-02-06
| Name: | Protein farnesyltransferase subunit beta |
|---|---|
| ID: | FNTB_HUMAN |
| AC: | P49356 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.5.1.58 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 11 % |
| B | 89 % |
| B-Factor: | 21.187 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.520 | 951.750 |
| % Hydrophobic | % Polar |
|---|---|
| 36.17 | 63.83 |
| According to VolSite | |
| HET Code: | JAN |
|---|---|
| Formula: | C27H23Cl2N4O |
| Molecular weight: | 490.404 g/mol |
| DrugBank ID: | DB04960 |
| Buried Surface Area: | 53.61 % |
| Polar Surface area: | 65.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 17.0871 | 135.226 | -0.281588 |
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 |
| C27 | CD2 | LEU- 96 | 3.91 | 0 | Hydrophobic |
| C26 | CB | SER- 99 | 4.36 | 0 | Hydrophobic |
| CL2 | CZ2 | TRP- 102 | 4.12 | 0 | Hydrophobic |
| CL2 | CZ2 | TRP- 106 | 3.98 | 0 | Hydrophobic |
| CL1 | CE1 | TYR- 166 | 3.96 | 0 | Hydrophobic |
| CL1 | CD | ARG- 202 | 3.91 | 0 | Hydrophobic |
| C18 | CB | ASP- 359 | 3.63 | 0 | Hydrophobic |
| C23 | CB | TYR- 361 | 4.49 | 0 | Hydrophobic |
| CL2 | CE1 | TYR- 361 | 3.84 | 0 | Hydrophobic |
| N2 | ZN | ZN- 439 | 2.1 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 439 | 3.23 | 87.86 | Pi/Cation |
