sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.350 Å
X-ray
2015-03-22
| Name: | Nitric oxide synthase oxygenase |
|---|---|
| ID: | NOSO_BACSU |
| AC: | O34453 |
| Organism: | Bacillus subtilis |
| Reign: | Bacteria |
| TaxID: | 224308 |
| EC Number: | 1.14.13.165 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 23.938 |
|---|---|
| Number of residues: | 10 |
| Including | |
| Standard Amino Acids: | 7 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.026 | 1228.500 |
| % Hydrophobic | % Polar |
|---|---|
| 44.51 | 55.49 |
| According to VolSite | |
| HET Code: | H4B |
|---|---|
| Formula: | C9H15N5O3 |
| Molecular weight: | 241.247 g/mol |
| DrugBank ID: | DB00360 |
| Buried Surface Area: | 30.14 % |
| Polar Surface area: | 132 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 6 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 6.09959 | 5.08776 | 19.5665 |
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 |
| N3 | NH1 | ARG- 247 | 3.47 | 152.1 | H-Bond (Protein Donor) |
| N8 | O | THR- 328 | 2.87 | 152.31 | H-Bond (Ligand Donor) |
| C7 | CB | THR- 328 | 4.31 | 0 | Hydrophobic |
| C6 | CE2 | TRP- 329 | 4.25 | 0 | Hydrophobic |
| N1 | O | HOH- 2042 | 3.12 | 173.19 | H-Bond (Ligand Donor) |
