sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2013-05-24
| Name: | Reductase homolog |
|---|---|
| ID: | Q9ZGC1_STRCY |
| AC: | Q9ZGC1 |
| Organism: | Streptomyces cyanogenus |
| Reign: | Bacteria |
| TaxID: | 80860 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 29.913 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | NAP |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.415 | 749.250 |
| % Hydrophobic | % Polar |
|---|---|
| 62.16 | 37.84 |
| According to VolSite | |
| HET Code: | 1TJ |
|---|---|
| Formula: | C19H11O5 |
| Molecular weight: | 319.288 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.06 % |
| Polar Surface area: | 94.5 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 3.25125 | -11.076 | -10.7256 |
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 |
| CAM | CE | MET- 101 | 4.43 | 0 | Hydrophobic |
| CAK | SD | MET- 101 | 4.33 | 0 | Hydrophobic |
| CAA | SD | MET- 103 | 3.64 | 0 | Hydrophobic |
| OAF | N | GLY- 148 | 3.24 | 123.53 | H-Bond (Protein Donor) |
| CAT | CD1 | LEU- 149 | 3.89 | 0 | Hydrophobic |
| CAI | CD2 | LEU- 149 | 3.52 | 0 | Hydrophobic |
| CAX | CG | LEU- 149 | 3.61 | 0 | Hydrophobic |
| CAG | CG2 | VAL- 152 | 3.74 | 0 | Hydrophobic |
| OAE | NE2 | GLN- 157 | 2.98 | 149.05 | H-Bond (Protein Donor) |
| CAA | CG1 | VAL- 205 | 4.17 | 0 | Hydrophobic |
| CAK | CD1 | LEU- 209 | 4.11 | 0 | Hydrophobic |
| CAQ | CD2 | LEU- 209 | 3.74 | 0 | Hydrophobic |
| CAS | CD2 | LEU- 209 | 3.66 | 0 | Hydrophobic |
| CAG | CD2 | LEU- 212 | 3.96 | 0 | Hydrophobic |
| CAI | CD1 | LEU- 212 | 3.63 | 0 | Hydrophobic |
| CAH | CG2 | THR- 250 | 3.54 | 0 | Hydrophobic |
