2.000 Å
X-ray
2014-06-20
Name: | Purine nucleoside phosphorylase DeoD-type |
---|---|
ID: | DEOD_ECOLI |
AC: | P0ABP8 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
C | 85 % |
F | 15 % |
B-Factor: | 11.857 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 26 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.544 | 769.500 |
% Hydrophobic | % Polar |
---|---|
43.86 | 56.14 |
According to VolSite |
HET Code: | FMC |
---|---|
Formula: | C10H13N5O4 |
Molecular weight: | 267.241 g/mol |
DrugBank ID: | DB02281 |
Buried Surface Area: | 63.27 % |
Polar Surface area: | 150.4 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-0.717895 | -7.10326 | -14.9866 |
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 |
O5' | NE2 | HIS- 4 | 2.65 | 159.89 | H-Bond (Protein Donor) |
C3' | CG | MET- 64 | 4.14 | 0 | Hydrophobic |
C5' | SD | MET- 64 | 3.61 | 0 | Hydrophobic |
C5' | CD1 | ILE- 71 | 4.45 | 0 | Hydrophobic |
N8 | OG | SER- 90 | 2.73 | 148.78 | H-Bond (Protein Donor) |
C5' | CD2 | PHE- 159 | 3.84 | 0 | Hydrophobic |
C2' | CB | GLU- 179 | 4.36 | 0 | Hydrophobic |
C2' | CG | MET- 180 | 3.54 | 0 | Hydrophobic |
C3' | SD | MET- 180 | 3.77 | 0 | Hydrophobic |
O2' | N | MET- 180 | 2.85 | 121.69 | H-Bond (Protein Donor) |
O2' | OE2 | GLU- 181 | 3.35 | 162.62 | H-Bond (Ligand Donor) |
O2' | OE1 | GLU- 181 | 2.52 | 131.46 | H-Bond (Ligand Donor) |