sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.760 Å
X-ray
2012-11-15
| Name: | Conserved hypthetical protein |
|---|---|
| ID: | Q8GGP1_STRAZ |
| AC: | Q8GGP1 |
| Organism: | Streptomyces atroolivaceus |
| Reign: | Bacteria |
| TaxID: | 66869 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 26.171 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | CL |
| Ligandability | Volume (Å3) |
|---|---|
| 0.750 | 556.875 |
| % Hydrophobic | % Polar |
|---|---|
| 50.30 | 49.70 |
| According to VolSite | |
| HET Code: | COA |
|---|---|
| Formula: | C21H32N7O16P3S |
| Molecular weight: | 763.502 g/mol |
| DrugBank ID: | DB01992 |
| Buried Surface Area: | 48.44 % |
| Polar Surface area: | 426.11 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 21 |
| H-Bond Donors: | 6 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 4 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 3 |
| Rotatable Bonds: | 18 |
| X | Y | Z |
|---|---|---|
| 34.6305 | 14.9679 | 3.55246 |
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 |
| C6P | CB | ALA- 64 | 4.14 | 0 | Hydrophobic |
| S1P | CB | ALA- 64 | 4.12 | 0 | Hydrophobic |
| N4P | O | PHE- 65 | 3.01 | 159.93 | H-Bond (Ligand Donor) |
| S1P | CD2 | PHE- 65 | 3.92 | 0 | Hydrophobic |
| CEP | CD1 | TYR- 66 | 4.1 | 0 | Hydrophobic |
| CAP | CE1 | TYR- 66 | 4.22 | 0 | Hydrophobic |
| CEP | CD | ARG- 140 | 4.04 | 0 | Hydrophobic |
| CDP | CG1 | VAL- 142 | 4.07 | 0 | Hydrophobic |
| CEP | CG1 | VAL- 142 | 3.81 | 0 | Hydrophobic |
| CDP | CB | LEU- 153 | 3.84 | 0 | Hydrophobic |
| S1P | CB | PHE- 223 | 3.97 | 0 | Hydrophobic |
| N8P | O | TYR- 260 | 3.07 | 131.8 | H-Bond (Ligand Donor) |
| C6P | CB | TYR- 260 | 3.91 | 0 | Hydrophobic |
| O5P | ND2 | ASN- 263 | 3.02 | 167.42 | H-Bond (Protein Donor) |
