sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2012-01-20
| Name: | Cell division protein FtsZ |
|---|---|
| ID: | FTSZ_STAAM |
| AC: | P0A029 |
| Organism: | Staphylococcus aureus |
| Reign: | Bacteria |
| TaxID: | 158878 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 23.770 |
|---|---|
| Number of residues: | 40 |
| Including | |
| Standard Amino Acids: | 39 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | CA |
| Ligandability | Volume (Å3) |
|---|---|
| 1.459 | 735.750 |
| % Hydrophobic | % Polar |
|---|---|
| 53.21 | 46.79 |
| According to VolSite | |
| HET Code: | 9PC |
|---|---|
| Formula: | C14H8ClF2N3O2S |
| Molecular weight: | 355.747 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 77.71 % |
| Polar Surface area: | 106.34 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 0.833783 | 11.438 | 22.0635 |
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 |
| CL | CB | GLN- 192 | 3.99 | 0 | Hydrophobic |
| C6 | CB | ASP- 199 | 4.43 | 0 | Hydrophobic |
| C4 | CB | ASP- 199 | 4.03 | 0 | Hydrophobic |
| F1 | CD1 | LEU- 200 | 3.36 | 0 | Hydrophobic |
| C6 | CB | LEU- 200 | 4.03 | 0 | Hydrophobic |
| S | CD1 | LEU- 200 | 3.88 | 0 | Hydrophobic |
| C13 | CB | LEU- 200 | 3.68 | 0 | Hydrophobic |
| F | CB | VAL- 203 | 3.53 | 0 | Hydrophobic |
| N | O | VAL- 207 | 2.87 | 143.07 | H-Bond (Ligand Donor) |
| C13 | CD1 | LEU- 209 | 4.33 | 0 | Hydrophobic |
| F1 | CB | LEU- 209 | 3.72 | 0 | Hydrophobic |
| O | N | LEU- 209 | 2.77 | 153.32 | H-Bond (Protein Donor) |
| CL | CB | MET- 226 | 4.1 | 0 | Hydrophobic |
| C12 | CB | ILE- 228 | 4.36 | 0 | Hydrophobic |
| CL | CB | ILE- 228 | 4.29 | 0 | Hydrophobic |
| F1 | CB | ASN- 263 | 3.2 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 297 | 3.23 | 0 | Hydrophobic |
| S | CB | THR- 309 | 3.78 | 0 | Hydrophobic |
| C12 | CB | THR- 309 | 3.76 | 0 | Hydrophobic |
