sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.240 Å
X-ray
2002-11-07
| Name: | ActVA 6 protein |
|---|---|
| ID: | Q53908_STRCH |
| AC: | Q53908 |
| Organism: | Streptomyces coelicolor |
| Reign: | Bacteria |
| TaxID: | 1902 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 30.789 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.234 | 364.500 |
| % Hydrophobic | % Polar |
|---|---|
| 62.04 | 37.96 |
| According to VolSite | |
| HET Code: | NOM |
|---|---|
| Formula: | C16H11O6 |
| Molecular weight: | 299.255 g/mol |
| DrugBank ID: | DB01668 |
| Buried Surface Area: | 70.41 % |
| Polar Surface area: | 92.73 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 46.5429 | 37.795 | 13.2181 |
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 |
| C14 | CG1 | VAL- 15 | 3.89 | 0 | Hydrophobic |
| C12 | CG2 | VAL- 15 | 3.71 | 0 | Hydrophobic |
| C1 | CD1 | ILE- 40 | 3.93 | 0 | Hydrophobic |
| C1 | CB | ALA- 49 | 3.61 | 0 | Hydrophobic |
| C6 | CB | ALA- 64 | 3.52 | 0 | Hydrophobic |
| O2 | NE1 | TRP- 66 | 2.9 | 152.02 | H-Bond (Protein Donor) |
| O3 | OH | TYR- 72 | 2.65 | 157.04 | H-Bond (Protein Donor) |
| C12 | CZ | TYR- 72 | 4.27 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 85 | 4.03 | 0 | Hydrophobic |
| C15 | CG | ARG- 86 | 4.12 | 0 | Hydrophobic |
| C14 | CB | PRO- 99 | 4.44 | 0 | Hydrophobic |
| C15 | CG | PRO- 99 | 3.77 | 0 | Hydrophobic |
| C12 | CB | ALA- 101 | 3.79 | 0 | Hydrophobic |
| C12 | CE1 | PHE- 103 | 3.93 | 0 | Hydrophobic |
