sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2004-06-23
| Name: | Chitinase |
|---|---|
| ID: | Q54276_SERMA |
| AC: | Q54276 |
| Organism: | Serratia marcescens |
| Reign: | Bacteria |
| TaxID: | 615 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 22.550 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.906 | 1461.375 |
| % Hydrophobic | % Polar |
|---|---|
| 49.65 | 50.35 |
| According to VolSite | |
| HET Code: | GIO |
|---|---|
| Formula: | C7H10N2O2 |
| Molecular weight: | 154.167 g/mol |
| DrugBank ID: | DB04541 |
| Buried Surface Area: | 68.67 % |
| Polar Surface area: | 49.41 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 18.1811 | 44.2872 | 102.679 |
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 |
| CGP | CZ | TYR- 10 | 3.31 | 0 | Hydrophobic |
| CBP | CZ | PHE- 51 | 3.37 | 0 | Hydrophobic |
| OP | N | TRP- 97 | 2.67 | 166.46 | H-Bond (Protein Donor) |
| CBP | CB | ASP- 142 | 4.22 | 0 | Hydrophobic |
| CGP | CB | ALA- 184 | 4.15 | 0 | Hydrophobic |
| CGP | SD | MET- 212 | 4.1 | 0 | Hydrophobic |
| O | OH | TYR- 214 | 2.77 | 146.04 | H-Bond (Protein Donor) |
| CGP | CE3 | TRP- 403 | 4.47 | 0 | Hydrophobic |
