2.300 Å
X-ray
2008-03-21
Name: | Polymerase basic protein 2 |
---|---|
ID: | PB2_I75A3 |
AC: | P31345 |
Organism: | Influenza A virus |
Reign: | Viruses |
TaxID: | 392809 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
F | 100 % |
B-Factor: | 53.909 |
---|---|
Number of residues: | 25 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.247 | 486.000 |
% Hydrophobic | % Polar |
---|---|
47.92 | 52.08 |
According to VolSite |
HET Code: | MGT |
---|---|
Formula: | C11H16N5O14P3 |
Molecular weight: | 535.191 g/mol |
DrugBank ID: | DB03358 |
Buried Surface Area: | 54.95 % |
Polar Surface area: | 324.22 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 18 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 0 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
29.8909 | -2.89485 | -62.1891 |
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 |
C4' | CD1 | PHE- 323 | 3.42 | 0 | Hydrophobic |
O1G | CZ | ARG- 355 | 3.73 | 0 | Ionic (Protein Cationic) |
O2G | CZ | ARG- 355 | 3.17 | 0 | Ionic (Protein Cationic) |
O1G | NH1 | ARG- 355 | 2.95 | 149.66 | H-Bond (Protein Donor) |
O1G | NE2 | HIS- 357 | 3.47 | 156.64 | H-Bond (Protein Donor) |
DuAr | DuAr | HIS- 357 | 3.74 | 0 | Aromatic Face/Face |
N1 | OE2 | GLU- 361 | 3.35 | 132.97 | H-Bond (Ligand Donor) |
N1 | OE1 | GLU- 361 | 3.07 | 171.25 | H-Bond (Ligand Donor) |
N2 | OE2 | GLU- 361 | 2.96 | 153.28 | H-Bond (Ligand Donor) |
CM7 | CE1 | PHE- 404 | 3.78 | 0 | Hydrophobic |
CM7 | CG | GLN- 406 | 4.32 | 0 | Hydrophobic |
CM7 | CE | MET- 431 | 4.21 | 0 | Hydrophobic |
O2A | NE2 | HIS- 432 | 3.4 | 146.9 | H-Bond (Protein Donor) |