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
2009-09-15
| 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 |
|---|---|
| A | 100 % |
| B-Factor: | 27.304 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 5 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.399 | 678.375 |
| % Hydrophobic | % Polar |
|---|---|
| 45.27 | 54.73 |
| According to VolSite | |
| HET Code: | AJD |
|---|---|
| Formula: | C12H15BrN2O2 |
| Molecular weight: | 299.164 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.55 % |
| Polar Surface area: | 68.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 43.2668 | -1.46047 | 92.5826 |
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 |
| OAA | NE | ARG- 38 | 2.81 | 169.39 | H-Bond (Protein Donor) |
| OAA | CZ | ARG- 38 | 3.63 | 0 | Ionic (Protein Cationic) |
| OAB | CZ | ARG- 38 | 3.7 | 0 | Ionic (Protein Cationic) |
| OAA | CZ | ARG- 41 | 3.91 | 0 | Ionic (Protein Cationic) |
| OAB | NH1 | ARG- 41 | 3.41 | 132.01 | H-Bond (Protein Donor) |
| BRAC | CD1 | ILE- 64 | 4.12 | 0 | Hydrophobic |
| BRAC | CB | HIS- 73 | 3.79 | 0 | Hydrophobic |
| BRAC | CB | ALA- 74 | 4.15 | 0 | Hydrophobic |
| CAF | CB | ALA- 74 | 4.46 | 0 | Hydrophobic |
| CAE | CB | SER- 77 | 3.49 | 0 | Hydrophobic |
| CAG | CE2 | PHE- 81 | 3.94 | 0 | Hydrophobic |
| CAI | CD1 | PHE- 81 | 3.71 | 0 | Hydrophobic |
| CAG | CE2 | TRP- 84 | 3.4 | 0 | Hydrophobic |
| CAI | CD2 | TRP- 84 | 3.61 | 0 | Hydrophobic |
| CAG | CE2 | TYR- 120 | 4 | 0 | Hydrophobic |
| NAK | OE1 | GLU- 140 | 2.92 | 148.48 | H-Bond (Ligand Donor) |
| NAK | OE2 | GLU- 140 | 3.36 | 145.89 | H-Bond (Ligand Donor) |
| NAK | OE1 | GLU- 140 | 2.92 | 0 | Ionic (Ligand Cationic) |
| NAK | OE2 | GLU- 140 | 3.36 | 0 | Ionic (Ligand Cationic) |
| OAA | O | HOH- 237 | 2.62 | 125.16 | H-Bond (Protein Donor) |
