sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2002-04-08
| 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 | 13 % |
| B | 87 % |
| B-Factor: | 16.197 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.875 | 1471.500 |
| % Hydrophobic | % Polar |
|---|---|
| 36.01 | 63.99 |
| According to VolSite | |
| HET Code: | U49 |
|---|---|
| Formula: | C26H22N5O2 |
| Molecular weight: | 436.485 g/mol |
| DrugBank ID: | DB08674 |
| Buried Surface Area: | 56.19 % |
| Polar Surface area: | 87.76 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 6 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 17.4629 | 133.75 | -1.5803 |
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 |
| C6 | CD2 | LEU- 596 | 3.66 | 0 | Hydrophobic |
| C12 | CB | SER- 599 | 3.81 | 0 | Hydrophobic |
| C8 | CB | TRP- 602 | 4.41 | 0 | Hydrophobic |
| N28 | NH1 | ARG- 702 | 3.12 | 139.17 | H-Bond (Protein Donor) |
| N33 | ZN | ZN- 1001 | 1.97 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 1001 | 3.14 | 90.06 | Pi/Cation |
