sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
3.000 Å
X-ray
2007-01-29
| Name: | Genome polyprotein |
|---|---|
| ID: | Q9QCE4_9PICO |
| AC: | Q9QCE4 |
| Organism: | Foot-and-mouth disease virus - type C |
| Reign: | Viruses |
| TaxID: | 12116 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 54.022 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MG |
| Ligandability | Volume (Å3) |
|---|---|
| 0.295 | 610.875 |
| % Hydrophobic | % Polar |
|---|---|
| 38.12 | 61.88 |
| According to VolSite | |
| HET Code: | UTP |
|---|---|
| Formula: | C9H11N2O15P3 |
| Molecular weight: | 480.109 g/mol |
| DrugBank ID: | DB04005 |
| Buried Surface Area: | 39 % |
| Polar Surface area: | 299.67 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 15 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 4 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 17.6641 | 25.2923 | 16.7779 |
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 |
| O4 | NZ | LYS- 164 | 3.27 | 121.7 | H-Bond (Protein Donor) |
| O1A | NH1 | ARG- 179 | 3.42 | 158.7 | H-Bond (Protein Donor) |
| C2' | CB | ASP- 245 | 4.25 | 0 | Hydrophobic |
| O2' | OD1 | ASP- 245 | 2.77 | 178.52 | H-Bond (Ligand Donor) |
| O2 | OG | SER- 298 | 2.68 | 163 | H-Bond (Protein Donor) |
