2.400 Å
X-ray
2014-01-16
Name: | Uridine phosphorylase |
---|---|
ID: | UDP_SALTY |
AC: | P0A1F6 |
Organism: | Salmonella typhimurium |
Reign: | Bacteria |
TaxID: | 99287 |
EC Number: | 2.4.2.3 |
Chain Name: | Percentage of Residues within binding site |
---|---|
E | 90 % |
F | 10 % |
B-Factor: | 59.258 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.954 | 1447.875 |
% Hydrophobic | % Polar |
---|---|
39.86 | 60.14 |
According to VolSite |
HET Code: | THM |
---|---|
Formula: | C10H14N2O5 |
Molecular weight: | 242.229 g/mol |
DrugBank ID: | DB04485 |
Buried Surface Area: | 69.5 % |
Polar Surface area: | 99.1 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-53.1181 | 58.3855 | 1.91329 |
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 |
C3' | CG1 | ILE- 69 | 4.14 | 0 | Hydrophobic |
O5' | NH2 | ARG- 91 | 3.06 | 132.92 | H-Bond (Protein Donor) |
C5M | CG2 | THR- 94 | 4.46 | 0 | Hydrophobic |
C2' | CE2 | PHE- 162 | 4.02 | 0 | Hydrophobic |
N3 | OE1 | GLN- 166 | 2.87 | 125.21 | H-Bond (Ligand Donor) |
C4' | CB | GLU- 196 | 4.34 | 0 | Hydrophobic |
C2' | SD | MET- 197 | 3.98 | 0 | Hydrophobic |
C1' | CG | MET- 197 | 4.06 | 0 | Hydrophobic |
O5' | OE1 | GLU- 198 | 2.56 | 133.82 | H-Bond (Ligand Donor) |
O3' | OE1 | GLU- 198 | 3.24 | 168.33 | H-Bond (Ligand Donor) |
C5M | CD1 | ILE- 220 | 3.43 | 0 | Hydrophobic |
C5M | CG1 | VAL- 221 | 3.99 | 0 | Hydrophobic |