sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.110 Å
X-ray
2014-02-03
| 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: | 28.732 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.724 | 1076.625 |
| % Hydrophobic | % Polar |
|---|---|
| 33.23 | 66.77 |
| According to VolSite | |
| HET Code: | 5RG |
|---|---|
| Formula: | C7H5FNO2 |
| Molecular weight: | 154.119 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.29 % |
| Polar Surface area: | 66.15 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 4.95191 | -28.9633 | 47.0638 |
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 |
| CAE | CG2 | VAL- 106 | 3.7 | 0 | Hydrophobic |
| NAA | O | GLY- 107 | 3.38 | 157.71 | H-Bond (Ligand Donor) |
| FAD | CB | HIS- 136 | 4.21 | 0 | Hydrophobic |
| OAB | ND2 | ASN- 138 | 2.74 | 149.45 | H-Bond (Protein Donor) |
| CAG | CB | ASN- 138 | 3.96 | 0 | Hydrophobic |
| FAD | CB | ALA- 179 | 3.56 | 0 | Hydrophobic |
| OAC | NH1 | ARG- 193 | 3.21 | 170.87 | H-Bond (Protein Donor) |
