sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2012-08-29
| 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 | 11 % |
| B | 89 % |
| B-Factor: | 36.590 |
|---|---|
| Number of residues: | 39 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.949 | 1319.625 |
| % Hydrophobic | % Polar |
|---|---|
| 43.22 | 56.78 |
| According to VolSite | |
| HET Code: | 7TR |
|---|---|
| Formula: | C34H38N6O5S |
| Molecular weight: | 642.768 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 52.89 % |
| Polar Surface area: | 129.38 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 0 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 11 |
| X | Y | Z |
|---|---|---|
| -71.1674 | -19.57 | 4.77354 |
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 |
| CAO | SG | CYS- 95 | 3.78 | 0 | Hydrophobic |
| CAQ | CD2 | LEU- 96 | 4.15 | 0 | Hydrophobic |
| CAV | CD1 | LEU- 96 | 4.31 | 0 | Hydrophobic |
| CAB | CB | TRP- 102 | 3.47 | 0 | Hydrophobic |
| CAZ | CZ3 | TRP- 102 | 4.28 | 0 | Hydrophobic |
| CAB | CD2 | TYR- 105 | 3.87 | 0 | Hydrophobic |
| CAB | CE2 | TRP- 106 | 4.13 | 0 | Hydrophobic |
| CAZ | CH2 | TRP- 106 | 4.26 | 0 | Hydrophobic |
| OAF | NE1 | TRP- 106 | 2.87 | 143.48 | H-Bond (Protein Donor) |
| CAA | CB | ALA- 151 | 4.14 | 0 | Hydrophobic |
| CAA | CD2 | TYR- 154 | 3.98 | 0 | Hydrophobic |
| CAB | CB | ALA- 155 | 3.81 | 0 | Hydrophobic |
| CAJ | CB | ASP- 359 | 4.37 | 0 | Hydrophobic |
| CBB | CZ | TYR- 361 | 4.45 | 0 | Hydrophobic |
| CAZ | CD1 | TYR- 361 | 4.11 | 0 | Hydrophobic |
| CAV | CB | TYR- 361 | 3.36 | 0 | Hydrophobic |
| NBC | ZN | ZN- 501 | 2.09 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 501 | 3.21 | 87.5 | Pi/Cation |
