sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.010 Å
X-ray
2015-05-15
| Name: | Anthranilate phosphoribosyltransferase |
|---|---|
| ID: | TRPD_MYCTA |
| AC: | A5U4M0 |
| Organism: | Mycobacterium tuberculosis |
| Reign: | Bacteria |
| TaxID: | 419947 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 33.582 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.814 | 816.750 |
| % Hydrophobic | % Polar |
|---|---|
| 45.04 | 54.96 |
| According to VolSite | |
| HET Code: | TA7 |
|---|---|
| Formula: | C11H9F3O3 |
| Molecular weight: | 246.183 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.4 % |
| Polar Surface area: | 43.37 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 17.5207 | -78.2626 | -15.0133 |
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 |
| FAE | CE | MET- 86 | 3.27 | 0 | Hydrophobic |
| OAB | ND2 | ASN- 138 | 2.83 | 153.97 | H-Bond (Protein Donor) |
| CAK | CB | ALA- 179 | 3.58 | 0 | Hydrophobic |
| FAF | CB | ALA- 179 | 3.78 | 0 | Hydrophobic |
| CAI | CB | ALA- 179 | 4.4 | 0 | Hydrophobic |
| CAO | CB | PRO- 180 | 4.1 | 0 | Hydrophobic |
| CAJ | CG | PRO- 180 | 4.3 | 0 | Hydrophobic |
| CAP | CG | PRO- 180 | 4.37 | 0 | Hydrophobic |
| FAD | CE2 | TYR- 186 | 4.32 | 0 | Hydrophobic |
| FAE | CE2 | TYR- 186 | 4.23 | 0 | Hydrophobic |
| CAK | CD2 | TYR- 186 | 3.44 | 0 | Hydrophobic |
| CAI | CB | TYR- 186 | 4.14 | 0 | Hydrophobic |
| CAA | CB | ARG- 187 | 3.44 | 0 | Hydrophobic |
| CAO | CB | ARG- 187 | 4 | 0 | Hydrophobic |
| CAP | CB | ALA- 190 | 3.78 | 0 | Hydrophobic |
| CAJ | CB | ALA- 190 | 3.34 | 0 | Hydrophobic |
