sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2015-01-05
| Name: | Uncharacterized protein |
|---|---|
| ID: | Q6FS46_CANGA |
| AC: | Q6FS46 |
| Organism: | Candida glabrata |
| Reign: | Eukaryota |
| TaxID: | 284593 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 32.150 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.412 | 536.625 |
| % Hydrophobic | % Polar |
|---|---|
| 48.43 | 51.57 |
| According to VolSite | |
| HET Code: | ADP |
|---|---|
| Formula: | C10H12N5O10P2 |
| Molecular weight: | 424.177 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 38.94 % |
| 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 |
|---|---|---|
| 13.8337 | -20.7055 | -0.212889 |
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 |
| C4' | CG2 | ILE- 15 | 4.19 | 0 | Hydrophobic |
| C1' | CG2 | ILE- 15 | 4.45 | 0 | Hydrophobic |
| C5' | CG2 | ILE- 23 | 3.68 | 0 | Hydrophobic |
| O2A | CZ | ARG- 38 | 2.86 | 0 | Ionic (Protein Cationic) |
| N6 | O | ASP- 83 | 2.85 | 178.63 | H-Bond (Ligand Donor) |
| N1 | N | LEU- 85 | 2.85 | 150.1 | H-Bond (Protein Donor) |
| C1' | CD2 | LEU- 135 | 4.47 | 0 | Hydrophobic |
