sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.820 Å
X-ray
2010-12-09
| Name: | Chitinase A |
|---|---|
| ID: | Q9AMP1_VIBHA |
| AC: | Q9AMP1 |
| Organism: | Vibrio harveyi |
| Reign: | Bacteria |
| TaxID: | 669 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 20.734 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 17 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.755 | 1242.000 |
| % Hydrophobic | % Polar |
|---|---|
| 47.01 | 52.99 |
| According to VolSite | |
| HET Code: | I5I |
|---|---|
| Formula: | C12H10N3OS |
| Molecular weight: | 244.292 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 31.84 % |
| Polar Surface area: | 83.59 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -3.76065 | -14.2735 | 1.50259 |
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 |
| C6 | CB | TRP- 275 | 4.43 | 0 | Hydrophobic |
| S17 | CB | TRP- 275 | 4.1 | 0 | Hydrophobic |
| DuAr | DuAr | TRP- 275 | 3.98 | 0 | Aromatic Face/Face |
| C5 | CB | ASP- 392 | 4.49 | 0 | Hydrophobic |
| C13 | CB | TRP- 397 | 3.96 | 0 | Hydrophobic |
| S17 | CZ2 | TRP- 570 | 4.31 | 0 | Hydrophobic |
