sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.750 Å
X-ray
2013-07-11
| Name: | CaaX farnesyltransferase beta subunit Ram1 |
|---|---|
| ID: | Q4WPS9_ASPFU |
| AC: | Q4WPS9 |
| Organism: | Neosartorya fumigata |
| Reign: | Eukaryota |
| TaxID: | 330879 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 10 % |
| B | 90 % |
| B-Factor: | 16.713 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.933 | 1404.000 |
| % Hydrophobic | % Polar |
|---|---|
| 35.34 | 64.66 |
| According to VolSite | |
| HET Code: | ED5 |
|---|---|
| Formula: | C32H42N6O4S |
| Molecular weight: | 606.779 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.82 % |
| Polar Surface area: | 120.15 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 12 |
| X | Y | Z |
|---|---|---|
| 24.6883 | -1.44088 | 0.689721 |
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 |
| CAC | CD1 | PHE- 166 | 4.22 | 0 | Hydrophobic |
| CAD | CE1 | PHE- 166 | 3.93 | 0 | Hydrophobic |
| CAK | CB | ALA- 168 | 3.85 | 0 | Hydrophobic |
| CAC | CG | LEU- 169 | 3.75 | 0 | Hydrophobic |
| CAM | CD2 | LEU- 169 | 3.82 | 0 | Hydrophobic |
| CAA | CB | SER- 172 | 4.01 | 0 | Hydrophobic |
| CAU | CH2 | TRP- 179 | 4.12 | 0 | Hydrophobic |
| CAV | CB | ASP- 452 | 4.25 | 0 | Hydrophobic |
| CAZ | CD1 | TYR- 454 | 4.27 | 0 | Hydrophobic |
| CAY | CZ | TYR- 454 | 3.7 | 0 | Hydrophobic |
| CBK | CB | TYR- 454 | 3.84 | 0 | Hydrophobic |
| NBC | ZN | ZN- 602 | 2.06 | 0 | Metal Acceptor |
| DuAr | ZN | ZN- 602 | 3.18 | 98.18 | Pi/Cation |
