sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2004-02-06
| 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 | 15 % |
| B | 85 % |
| B-Factor: | 22.476 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.774 | 1019.250 |
| % Hydrophobic | % Polar |
|---|---|
| 40.07 | 59.93 |
| According to VolSite | |
| HET Code: | BMV |
|---|---|
| Formula: | C25H23N5O2S2 |
| Molecular weight: | 489.612 g/mol |
| DrugBank ID: | DB12234 |
| Buried Surface Area: | 47.5 % |
| Polar Surface area: | 129.71 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 100.921 | 19.2617 | 31.533 |
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 |
| SAX | SG | CYS- 95 | 4.5 | 0 | Hydrophobic |
| CAY | CD1 | LEU- 96 | 4.28 | 0 | Hydrophobic |
| CAQ | CD2 | LEU- 96 | 4.31 | 0 | Hydrophobic |
| SAX | CD2 | LEU- 96 | 4.09 | 0 | Hydrophobic |
| CAT | CH2 | TRP- 106 | 4.15 | 0 | Hydrophobic |
| CAR | CE1 | TYR- 166 | 4.33 | 0 | Hydrophobic |
| CAU | CE1 | TYR- 361 | 4.29 | 0 | Hydrophobic |
| CAT | CD1 | TYR- 361 | 4.15 | 0 | Hydrophobic |
| CAY | CB | TYR- 361 | 3.26 | 0 | Hydrophobic |
| NAA | N | TYR- 361 | 3.42 | 156.65 | H-Bond (Protein Donor) |
| NAV | ZN | ZN- 438 | 2.05 | 0 | Metal Acceptor |
