sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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 |
Image generated by PoseView
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 |
