sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.650 Å
X-ray
2013-05-27
| Name: | Nucleoprotein |
|---|---|
| ID: | NCAP_CVHOC |
| AC: | P33469 |
| Organism: | Human coronavirus OC43 |
| Reign: | Viruses |
| TaxID: | 31631 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 30.658 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.014 | 496.125 |
| % Hydrophobic | % Polar |
|---|---|
| 55.78 | 44.22 |
| According to VolSite | |
| HET Code: | P34 |
|---|---|
| Formula: | C17H18N3O2 |
| Molecular weight: | 296.344 g/mol |
| DrugBank ID: | DB08348 |
| Buried Surface Area: | 50.8 % |
| Polar Surface area: | 62.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 64.4617 | 51.4512 | 1.41768 |
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 |
| CAT | CG | PRO- 61 | 3.95 | 0 | Hydrophobic |
| CAK | CB | PRO- 61 | 3.44 | 0 | Hydrophobic |
| CAH | CE2 | TYR- 63 | 3.5 | 0 | Hydrophobic |
| OAD | N | SER- 64 | 3.14 | 147.91 | H-Bond (Protein Donor) |
| CAR | CD2 | TYR- 124 | 3.47 | 0 | Hydrophobic |
| CAJ | CB | TYR- 124 | 4.01 | 0 | Hydrophobic |
| NAN | OH | TYR- 126 | 3.01 | 125.75 | H-Bond (Ligand Donor) |
