1.950 Å
X-ray
2012-04-19
Name: | Polymerase basic protein 2 |
---|---|
ID: | PB2_I68A4 |
AC: | Q91MB1 |
Organism: | Influenza A virus |
Reign: | Viruses |
TaxID: | 506350 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 43.252 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.584 | 398.250 |
% Hydrophobic | % Polar |
---|---|
55.93 | 44.07 |
According to VolSite |
HET Code: | MGT |
---|---|
Formula: | C11H16N5O14P3 |
Molecular weight: | 535.191 g/mol |
DrugBank ID: | DB03358 |
Buried Surface Area: | 58.63 % |
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 |
---|---|---|
12.1765 | 25.1366 | 14.6534 |
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 | 3.65 | 0 | Hydrophobic |
C1' | CE1 | PHE- 323 | 3.74 | 0 | Hydrophobic |
C5' | CD1 | PHE- 325 | 4.13 | 0 | Hydrophobic |
O2' | NZ | LYS- 339 | 3.2 | 157.85 | H-Bond (Protein Donor) |
O1G | CZ | ARG- 355 | 3.87 | 0 | Ionic (Protein Cationic) |
O1G | NH1 | ARG- 355 | 3.11 | 135.04 | H-Bond (Protein Donor) |
O2' | NE2 | HIS- 357 | 3.39 | 170.49 | H-Bond (Ligand Donor) |
N1 | OE2 | GLU- 361 | 3.38 | 128.13 | H-Bond (Ligand Donor) |
N1 | OE1 | GLU- 361 | 2.75 | 174.95 | H-Bond (Ligand Donor) |
N2 | OE2 | GLU- 361 | 2.58 | 174.5 | H-Bond (Ligand Donor) |
O6 | NZ | LYS- 376 | 2.78 | 163.77 | H-Bond (Protein Donor) |
C1' | CE1 | PHE- 404 | 4.26 | 0 | Hydrophobic |
C8 | CE1 | PHE- 404 | 3.47 | 0 | Hydrophobic |
CM7 | CE1 | PHE- 404 | 4.01 | 0 | Hydrophobic |
CM7 | CG | GLN- 406 | 3.94 | 0 | Hydrophobic |
O1B | ND2 | ASN- 429 | 3.25 | 130.33 | H-Bond (Protein Donor) |
O1A | ND2 | ASN- 429 | 2.91 | 131.12 | H-Bond (Protein Donor) |
CM7 | CE | MET- 431 | 4.1 | 0 | Hydrophobic |