1.900 Å
X-ray
2013-10-10
Name: | Polymerase basic protein 2 |
---|---|
ID: | Q2LG68_9INFA |
AC: | Q2LG68 |
Organism: | Influenza A virus ) |
Reign: | Viruses |
TaxID: | 365107 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 27.986 |
---|---|
Number of residues: | 27 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | IOD |
Ligandability | Volume (Å3) |
---|---|
0.222 | 475.875 |
% Hydrophobic | % Polar |
---|---|
49.65 | 50.35 |
According to VolSite |
HET Code: | 29R |
---|---|
Formula: | C16H22N5O5 |
Molecular weight: | 364.376 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 45.03 % |
Polar Surface area: | 142.56 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
9.34169 | 12.5348 | 13.1768 |
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 |
O37 | N | SER- 321 | 2.74 | 123.73 | H-Bond (Protein Donor) |
C12 | CE2 | PHE- 323 | 3.48 | 0 | Hydrophobic |
C32 | CE1 | PHE- 323 | 4.29 | 0 | Hydrophobic |
C13 | CD2 | PHE- 323 | 3.73 | 0 | Hydrophobic |
C32 | CD | ARG- 332 | 4.35 | 0 | Hydrophobic |
C34 | CB | ARG- 332 | 4.22 | 0 | Hydrophobic |
DuAr | DuAr | HIS- 357 | 3.69 | 0 | Aromatic Face/Face |
N1 | OE1 | GLU- 361 | 2.79 | 177.6 | H-Bond (Ligand Donor) |
N2 | OE2 | GLU- 361 | 2.75 | 167.09 | H-Bond (Ligand Donor) |
C32 | CE2 | PHE- 363 | 4.22 | 0 | Hydrophobic |
O6 | NZ | LYS- 376 | 3.12 | 152.51 | H-Bond (Protein Donor) |
CM7 | CE1 | PHE- 404 | 3.74 | 0 | Hydrophobic |
CM7 | CG | GLN- 406 | 3.94 | 0 | Hydrophobic |
CM7 | CE | MET- 431 | 4.27 | 0 | Hydrophobic |