sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.750 Å
X-ray
2008-07-30
| Name: | Phenazine biosynthesis protein A/B |
|---|---|
| ID: | Q396C9_BURL3 |
| AC: | Q396C9 |
| Organism: | Burkholderia lata |
| Reign: | Bacteria |
| TaxID: | 482957 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 31.884 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.256 | 479.250 |
| % Hydrophobic | % Polar |
|---|---|
| 53.52 | 46.48 |
| According to VolSite | |
| HET Code: | 3OC |
|---|---|
| Formula: | C7H9O3 |
| Molecular weight: | 141.145 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.66 % |
| Polar Surface area: | 57.2 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 26.7429 | 15.8941 | 74.5673 |
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 |
| OAC | NH2 | ARG- 41 | 3.49 | 142.15 | H-Bond (Protein Donor) |
| OAB | NH2 | ARG- 41 | 2.9 | 152.24 | H-Bond (Protein Donor) |
| OAB | NH1 | ARG- 41 | 3.12 | 141.09 | H-Bond (Protein Donor) |
| OAB | CZ | ARG- 41 | 3.46 | 0 | Ionic (Protein Cationic) |
| CAF | CD1 | PHE- 81 | 4.18 | 0 | Hydrophobic |
| CAD | CG | PHE- 81 | 3.66 | 0 | Hydrophobic |
| CAE | CZ2 | TRP- 84 | 3.68 | 0 | Hydrophobic |
| CAD | CE2 | TRP- 84 | 3.76 | 0 | Hydrophobic |
| CAE | CH2 | TRP- 86 | 4.15 | 0 | Hydrophobic |
| CAG | CH2 | TRP- 86 | 3.8 | 0 | Hydrophobic |
| CAJ | CZ2 | TRP- 86 | 4.47 | 0 | Hydrophobic |
| CAE | CE2 | TYR- 120 | 4.48 | 0 | Hydrophobic |
| CAE | CZ | PHE- 124 | 4.28 | 0 | Hydrophobic |
