2.360 Å
X-ray
2013-06-26
Name: | Cyclic GMP-AMP synthase |
---|---|
ID: | CGAS_MOUSE |
AC: | Q8C6L5 |
Organism: | Mus musculus |
Reign: | Eukaryota |
TaxID: | 10090 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 53.168 |
---|---|
Number of residues: | 35 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.281 | 904.500 |
% Hydrophobic | % Polar |
---|---|
30.97 | 69.03 |
According to VolSite |
HET Code: | 1SY |
---|---|
Formula: | C20H22N10O13P2 |
Molecular weight: | 672.395 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 49.09 % |
Polar Surface area: | 350.63 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 21 |
H-Bond Donors: | 5 |
Rings: | 7 |
Aromatic rings: | 3 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-1.41493 | -29.5901 | 22.3372 |
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 |
O30 | OD1 | ASP- 213 | 3.1 | 153.91 | H-Bond (Ligand Donor) |
C1' | CG | PRO- 292 | 4.1 | 0 | Hydrophobic |
O2' | OD2 | ASP- 307 | 2.92 | 162.89 | H-Bond (Ligand Donor) |
C1' | CD1 | ILE- 309 | 3.54 | 0 | Hydrophobic |
N1 | OG | SER- 366 | 2.66 | 151.12 | H-Bond (Protein Donor) |
C32 | SG | CYS- 419 | 3.39 | 0 | Hydrophobic |
C24 | CB | CYS- 419 | 3.39 | 0 | Hydrophobic |