sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.180 Å
X-ray
2011-02-20
| Name: | Anthranilate phosphoribosyltransferase |
|---|---|
| ID: | TRPD_MYCTU |
| AC: | P9WFX5 |
| Organism: | Mycobacterium tuberculosis |
| Reign: | Bacteria |
| TaxID: | 83332 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 19.887 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.654 | 826.875 |
| % Hydrophobic | % Polar |
|---|---|
| 40.41 | 59.59 |
| According to VolSite | |
| HET Code: | TA7 |
|---|---|
| Formula: | C11H9F3O3 |
| Molecular weight: | 246.183 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 54.24 % |
| 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 |
|---|---|---|
| 0.269471 | -33.7988 | 45.7833 |
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 |
| FAD | CE | MET- 86 | 3.59 | 0 | Hydrophobic |
| OAB | ND2 | ASN- 138 | 2.95 | 152.47 | H-Bond (Protein Donor) |
| CAK | CB | ALA- 179 | 3.55 | 0 | Hydrophobic |
| FAF | CB | ALA- 179 | 3.34 | 0 | Hydrophobic |
| CAJ | CG | PRO- 180 | 3.85 | 0 | Hydrophobic |
| CAH | CB | PRO- 180 | 4.07 | 0 | Hydrophobic |
| FAE | CB | HIS- 183 | 3.85 | 0 | Hydrophobic |
| FAE | CD2 | TYR- 186 | 3.89 | 0 | Hydrophobic |
| CAI | CB | TYR- 186 | 4.21 | 0 | Hydrophobic |
| CAK | CD2 | TYR- 186 | 3.71 | 0 | Hydrophobic |
| FAD | CE2 | TYR- 186 | 3.58 | 0 | Hydrophobic |
| CAA | CB | ARG- 187 | 3.82 | 0 | Hydrophobic |
| CAO | CB | ARG- 187 | 3.87 | 0 | Hydrophobic |
| CAJ | CB | ALA- 190 | 3.78 | 0 | Hydrophobic |
| CAP | CB | ALA- 190 | 3.74 | 0 | Hydrophobic |
