sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.190 Å
X-ray
2010-06-23
| Name: | 6-hydroxy-L-nicotine oxidase |
|---|---|
| ID: | Q93NH4_ARTNI |
| AC: | Q93NH4 |
| Organism: | Arthrobacter nicotinovorans |
| Reign: | Bacteria |
| TaxID: | 29320 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| X | 100 % |
| B-Factor: | 28.500 |
|---|---|
| Number of residues: | 21 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.138 | 742.500 |
| % Hydrophobic | % Polar |
|---|---|
| 51.36 | 48.64 |
| According to VolSite | |
| HET Code: | HNK |
|---|---|
| Formula: | C10H15N2O |
| Molecular weight: | 179.239 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.46 % |
| Polar Surface area: | 37.56 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 97.2851 | 43.2426 | 17.389 |
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 |
| N1 | OD1 | ASN- 166 | 2.6 | 163.8 | H-Bond (Ligand Donor) |
| O6 | ND2 | ASN- 166 | 2.92 | 171.2 | H-Bond (Protein Donor) |
| C12 | SD | MET- 167 | 3.84 | 0 | Hydrophobic |
| O6 | OH | TYR- 311 | 2.57 | 166.68 | H-Bond (Protein Donor) |
| C12 | CE2 | TRP- 371 | 4.13 | 0 | Hydrophobic |
| C9 | CD2 | TRP- 371 | 3.71 | 0 | Hydrophobic |
| C12 | CZ | TYR- 407 | 4.1 | 0 | Hydrophobic |
