sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.310 Å
X-ray
2011-11-15
| Name: | CRISPR system Cmr subunit Cmr2 |
|---|---|
| ID: | CMR2_PYRFU |
| AC: | Q8U1S6 |
| Organism: | Pyrococcus furiosus |
| Reign: | Archaea |
| TaxID: | 186497 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 100 % |
| B-Factor: | 60.269 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | CA CA |
| Ligandability | Volume (Å3) |
|---|---|
| 0.148 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 46.81 | 53.19 |
| According to VolSite | |
| HET Code: | ADP |
|---|---|
| Formula: | C10H12N5O10P2 |
| Molecular weight: | 424.177 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.11 % |
| Polar Surface area: | 260.7 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 14 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 3 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 12.1343 | 27.924 | 11.3914 |
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 |
| C1' | CG1 | VAL- 229 | 3.7 | 0 | Hydrophobic |
| N6 | O | SER- 246 | 2.97 | 142.57 | H-Bond (Ligand Donor) |
| N1 | OG | SER- 246 | 2.75 | 163.89 | H-Bond (Protein Donor) |
| C2' | CE1 | TYR- 669 | 4.09 | 0 | Hydrophobic |
| DuAr | DuAr | TYR- 669 | 3.46 | 0 | Aromatic Face/Face |
| C2' | CB | ASP- 674 | 3.97 | 0 | Hydrophobic |
