2.160 Å
X-ray
2012-03-14
Name: | Polymerase acidic protein |
---|---|
ID: | Q5EP34_9INFA |
AC: | Q5EP34 |
Organism: | Influenza A virus ) |
Reign: | Viruses |
TaxID: | 284218 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
D | 100 % |
B-Factor: | 48.480 |
---|---|
Number of residues: | 27 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 1 |
Cofactors: | |
Metals: | MN MN |
Ligandability | Volume (Å3) |
---|---|
0.067 | 691.875 |
% Hydrophobic | % Polar |
---|---|
33.17 | 66.83 |
According to VolSite |
HET Code: | 0N8 |
---|---|
Formula: | C23H24ClNO4 |
Molecular weight: | 413.894 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 50.95 % |
Polar Surface area: | 81.87 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
-51.9851 | -15.0541 | 24.9215 |
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 |
C20 | CE1 | TYR- 24 | 3.32 | 0 | Hydrophobic |
CL2 | CD | LYS- 34 | 4.24 | 0 | Hydrophobic |
CL2 | CD1 | ILE- 38 | 3.62 | 0 | Hydrophobic |
C6 | CZ2 | TRP- 88 | 3.37 | 0 | Hydrophobic |
C13 | CB | PHE- 105 | 4.04 | 0 | Hydrophobic |
C6 | CB | PHE- 105 | 3.68 | 0 | Hydrophobic |
C12 | CB | LEU- 106 | 3.99 | 0 | Hydrophobic |
C1 | CB | LEU- 106 | 3.68 | 0 | Hydrophobic |
O25 | NZ | LYS- 134 | 3.46 | 126.47 | H-Bond (Protein Donor) |
O25 | NZ | LYS- 134 | 3.46 | 0 | Ionic (Protein Cationic) |
O28 | MN | MN- 303 | 2.35 | 0 | Metal Acceptor |
O25 | MN | MN- 303 | 1.94 | 0 | Metal Acceptor |
O27 | MN | MN- 304 | 1.93 | 0 | Metal Acceptor |
O28 | MN | MN- 304 | 2.34 | 0 | Metal Acceptor |
O25 | O | HOH- 401 | 2.98 | 163.56 | H-Bond (Protein Donor) |