2.500 Å
X-ray
2008-03-26
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 |
---|---|
A | 100 % |
B-Factor: | 31.810 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | FAD |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.471 | 486.000 |
% Hydrophobic | % Polar |
---|---|
33.33 | 66.67 |
According to VolSite |
HET Code: | SP7 |
---|---|
Formula: | C10H25N3O |
Molecular weight: | 203.325 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 72.76 % |
Polar Surface area: | 73.34 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 1 |
H-Bond Donors: | 3 |
Rings: | 0 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 2 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
65.9324 | -23.9055 | 56.5263 |
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 |
CAK | CZ3 | TRP- 65 | 3.51 | 0 | Hydrophobic |
NAN | O | LEU- 173 | 3.37 | 124.43 | H-Bond (Ligand Donor) |
CAC | CE2 | TRP- 174 | 4.29 | 0 | Hydrophobic |
CAG | CH2 | TRP- 174 | 4.23 | 0 | Hydrophobic |
CAL | CE3 | TRP- 174 | 4.49 | 0 | Hydrophobic |
NAE | O | TRP- 174 | 2.86 | 135.32 | H-Bond (Ligand Donor) |
CAL | CD2 | LEU- 294 | 4.02 | 0 | Hydrophobic |
CAL | CD2 | LEU- 375 | 3.53 | 0 | Hydrophobic |
CAC | CE1 | TYR- 450 | 4.49 | 0 | Hydrophobic |
CAB | CD1 | TYR- 450 | 3.57 | 0 | Hydrophobic |
CAG | CZ | TYR- 450 | 3.95 | 0 | Hydrophobic |
CAB | SG | CYS- 488 | 4.1 | 0 | Hydrophobic |
CAG | SG | CYS- 488 | 4.06 | 0 | Hydrophobic |