sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2011-02-20
| Name: | Beta sliding clamp |
|---|---|
| ID: | DPO3B_ECOLI |
| AC: | P0A988 |
| Organism: | Escherichia coli |
| Reign: | Bacteria |
| TaxID: | 83333 |
| EC Number: | 2.7.7.7 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 23.171 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.889 | 337.500 |
| % Hydrophobic | % Polar |
|---|---|
| 64.00 | 36.00 |
| According to VolSite | |
| HET Code: | 743 |
|---|---|
| Formula: | C26H26FN2O3 |
| Molecular weight: | 433.495 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 41.04 % |
| Polar Surface area: | 88.42 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 55.8188 | 12.6058 | 43.328 |
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 |
| C11 | CG2 | THR- 172 | 4 | 0 | Hydrophobic |
| C6 | CB | LEU- 177 | 4.08 | 0 | Hydrophobic |
| O22 | NH1 | ARG- 240 | 3.17 | 147.66 | H-Bond (Protein Donor) |
| C11 | CG | PRO- 242 | 4.04 | 0 | Hydrophobic |
| C13 | CG | PRO- 242 | 4.32 | 0 | Hydrophobic |
| C25 | CB | PRO- 242 | 4.04 | 0 | Hydrophobic |
| C24 | CB | ARG- 246 | 4 | 0 | Hydrophobic |
| C7 | CG2 | VAL- 247 | 4.39 | 0 | Hydrophobic |
| C25 | CG2 | VAL- 247 | 3.77 | 0 | Hydrophobic |
| C1 | CG1 | VAL- 247 | 3.58 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 247 | 3.42 | 0 | Hydrophobic |
| F1 | CB | SER- 346 | 3.55 | 0 | Hydrophobic |
| F1 | CG1 | VAL- 360 | 3.85 | 0 | Hydrophobic |
| F1 | CB | MET- 362 | 4.06 | 0 | Hydrophobic |
| C2 | CE | MET- 362 | 3.76 | 0 | Hydrophobic |
