sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2001-06-11
| 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 | 20 % |
| B | 80 % |
| B-Factor: | 33.556 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 4 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.818 | 1117.125 |
| % Hydrophobic | % Polar |
|---|---|
| 38.37 | 61.63 |
| According to VolSite | |
| HET Code: | 739 |
|---|---|
| Formula: | C23H39N3O6S2 |
| Molecular weight: | 517.702 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.91 % |
| Polar Surface area: | 202.4 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 4 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 17 |
| X | Y | Z |
|---|---|---|
| 17.4159 | 134.214 | -4.37976 |
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 |
| ODM | OG | SER- 99 | 2.75 | 154.49 | H-Bond (Protein Donor) |
| OEM | NE1 | TRP- 102 | 2.66 | 137.54 | H-Bond (Protein Donor) |
| CHF | CZ2 | TRP- 106 | 3.45 | 0 | Hydrophobic |
| CEM | CE2 | TYR- 131 | 3.49 | 0 | Hydrophobic |
| CCM | CB | ALA- 151 | 4.41 | 0 | Hydrophobic |
| CEM | CG | PRO- 152 | 4.38 | 0 | Hydrophobic |
| CEI | CD1 | TYR- 166 | 3.57 | 0 | Hydrophobic |
| CAF | CE1 | TYR- 166 | 4.21 | 0 | Hydrophobic |
| CDI | CE1 | TYR- 166 | 3.85 | 0 | Hydrophobic |
| OF | NH1 | ARG- 202 | 2.97 | 140.37 | H-Bond (Protein Donor) |
| CBC | SG | CYS- 299 | 3.67 | 0 | Hydrophobic |
| CBC | CZ | TYR- 300 | 4.02 | 0 | Hydrophobic |
| SCC | CE2 | TYR- 361 | 3.88 | 0 | Hydrophobic |
| CBF | CE1 | TYR- 361 | 4.38 | 0 | Hydrophobic |
| O | O | HOH- 1163 | 2.86 | 179.97 | H-Bond (Protein Donor) |
