sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.990 Å
X-ray
2014-12-05
| Name: | Large structural protein |
|---|---|
| ID: | Q91L20_9MONO |
| AC: | Q91L20 |
| Organism: | Human metapneumovirus |
| Reign: | Viruses |
| TaxID: | 162145 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 85.640 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.576 | 958.500 |
| % Hydrophobic | % Polar |
|---|---|
| 31.34 | 68.66 |
| According to VolSite | |
| HET Code: | GMP |
|---|---|
| Formula: | C10H13N5O5 |
| Molecular weight: | 283.241 g/mol |
| DrugBank ID: | DB02857 |
| Buried Surface Area: | 47.79 % |
| Polar Surface area: | 155.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 5 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 30.7491 | -6.4727 | 2.927 |
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' | NE2 | HIS- 1659 | 3.19 | 163.72 | H-Bond (Protein Donor) |
| N3 | NH1 | ARG- 1662 | 3.27 | 146.7 | H-Bond (Protein Donor) |
| N7 | NZ | LYS- 1991 | 2.87 | 144.61 | H-Bond (Protein Donor) |
| DuAr | NZ | LYS- 1991 | 3.96 | 70.19 | Pi/Cation |
| O5' | NZ | LYS- 1995 | 2.91 | 156.37 | H-Bond (Protein Donor) |
