sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2007-11-29
| Name: | Polyamine oxidase FMS1 |
|---|---|
| ID: | FMS1_YEAST |
| AC: | P50264 |
| Organism: | Saccharomyces cerevisiae |
| Reign: | Eukaryota |
| TaxID: | 559292 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 39.280 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | FAD |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.809 | 533.250 |
| % Hydrophobic | % Polar |
|---|---|
| 43.04 | 56.96 |
| According to VolSite | |
| HET Code: | 298 |
|---|---|
| Formula: | C12H20N2 |
| Molecular weight: | 192.301 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.57 % |
| Polar Surface area: | 24.72 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 43.2337 | 11.6739 | 36.3824 |
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 |
| C6 | CE3 | TRP- 174 | 4.28 | 0 | Hydrophobic |
| C9 | CE3 | TRP- 174 | 4.11 | 0 | Hydrophobic |
| C9 | CD2 | LEU- 294 | 4.46 | 0 | Hydrophobic |
| C7 | CZ | TYR- 450 | 3.32 | 0 | Hydrophobic |
| C6 | SG | CYS- 488 | 3.89 | 0 | Hydrophobic |
| C8 | C9A | FAD- 802 | 4.49 | 0 | Hydrophobic |
| N10 | O4 | FAD- 802 | 3.37 | 132.29 | H-Bond (Ligand Donor) |
