2.100 Å
X-ray
2015-07-28
Name: | RNA-dependent RNA polymerase |
---|---|
ID: | Q6A562_9VIRU |
AC: | Q6A562 |
Organism: | Thosea asigna virus |
Reign: | Viruses |
TaxID: | 83810 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 41.411 |
---|---|
Number of residues: | 24 |
Including | |
Standard Amino Acids: | 22 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.957 | 813.375 |
% Hydrophobic | % Polar |
---|---|
46.47 | 53.53 |
According to VolSite |
HET Code: | CDP |
---|---|
Formula: | C9H12N3O11P2 |
Molecular weight: | 400.153 g/mol |
DrugBank ID: | DB04555 |
Buried Surface Area: | 50.59 % |
Polar Surface area: | 249.77 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 13 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
7.85616 | 34.562 | 18.2766 |
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 |
C1' | CG | MET- 556 | 4.38 | 0 | Hydrophobic |
C5' | CG | MET- 556 | 3.55 | 0 | Hydrophobic |
C4' | CG | ARG- 559 | 3.56 | 0 | Hydrophobic |
O1A | OG1 | THR- 560 | 3.13 | 125.43 | H-Bond (Protein Donor) |
O5' | OG1 | THR- 560 | 2.86 | 153 | H-Bond (Protein Donor) |
C4' | CE | MET- 597 | 4.38 | 0 | Hydrophobic |
C1' | CE | MET- 597 | 3.37 | 0 | Hydrophobic |
C3' | CB | VAL- 599 | 4.28 | 0 | Hydrophobic |
O2' | N | GLN- 600 | 3.21 | 141.76 | H-Bond (Protein Donor) |
O3' | O | HOH- 972 | 3.14 | 150.73 | H-Bond (Protein Donor) |