sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
1996-02-27
| Name: | Pol polyprotein |
|---|---|
| ID: | POL_EIAVC |
| AC: | P32542 |
| Organism: | Equine infectious anemia virus |
| Reign: | Viruses |
| TaxID: | 31675 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 14.443 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.612 | 303.750 |
| % Hydrophobic | % Polar |
|---|---|
| 55.56 | 44.44 |
| According to VolSite | |
| HET Code: | HYB |
|---|---|
| Formula: | C32H42N2O5S |
| Molecular weight: | 566.751 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 30.46 % |
| Polar Surface area: | 120.95 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 13 |
| X | Y | Z |
|---|---|---|
| 5.56185 | 20.1977 | 2.55107 |
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 |
| O14 | O | GLY- 27 | 2.84 | 127.4 | H-Bond (Ligand Donor) |
| N16 | O | GLY- 27 | 3.36 | 164.09 | H-Bond (Ligand Donor) |
| C31 | CB | ALA- 28 | 3.93 | 0 | Hydrophobic |
| O33 | N | ASP- 29 | 2.85 | 171.88 | H-Bond (Protein Donor) |
| C36 | CB | ASP- 29 | 4.31 | 0 | Hydrophobic |
| C37 | CB | ASP- 29 | 3.85 | 0 | Hydrophobic |
| C31 | CG2 | THR- 30 | 4.43 | 0 | Hydrophobic |
| C37 | CG2 | THR- 30 | 3.74 | 0 | Hydrophobic |
| C31 | CG2 | VAL- 32 | 4.31 | 0 | Hydrophobic |
| C39 | CG2 | ILE- 53 | 4.24 | 0 | Hydrophobic |
| O2 | N | GLY- 54 | 3.13 | 145.27 | H-Bond (Protein Donor) |
| N25 | O | GLY- 54 | 2.96 | 156.19 | H-Bond (Ligand Donor) |
| C24 | CG2 | VAL- 56 | 3.63 | 0 | Hydrophobic |
| C30 | CD1 | ILE- 89 | 3.74 | 0 | Hydrophobic |
