sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.900 Å
X-ray
2008-08-18
| Name: | Nitric oxide synthase, inducible |
|---|---|
| ID: | NOS2_MOUSE |
| AC: | P29477 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | 1.14.13.39 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 57.289 |
|---|---|
| Number of residues: | 16 |
| Including | |
| Standard Amino Acids: | 14 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.550 | 1950.750 |
| % Hydrophobic | % Polar |
|---|---|
| 42.21 | 57.79 |
| According to VolSite | |
| HET Code: | H4B |
|---|---|
| Formula: | C9H15N5O3 |
| Molecular weight: | 241.247 g/mol |
| DrugBank ID: | DB00360 |
| Buried Surface Area: | 41.81 % |
| 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 |
|---|---|---|
| 139.239 | 118.487 | 88.2429 |
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 |
| O10 | O | SER- 112 | 2.97 | 137.59 | H-Bond (Ligand Donor) |
| C10 | CG | MET- 114 | 4.49 | 0 | Hydrophobic |
| C9 | CG | MET- 114 | 4.01 | 0 | Hydrophobic |
| O4 | NH2 | ARG- 375 | 2.73 | 120.45 | H-Bond (Protein Donor) |
| N8 | O | ILE- 456 | 2.82 | 163.41 | H-Bond (Ligand Donor) |
| C7 | CG2 | ILE- 456 | 3.37 | 0 | Hydrophobic |
| N2 | O | TRP- 457 | 3.33 | 174.01 | H-Bond (Ligand Donor) |
