sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.820 Å
X-ray
2011-11-27
| 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 |
|---|---|
| C | 100 % |
| B-Factor: | 16.418 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.716 | 995.625 |
| % Hydrophobic | % Polar |
|---|---|
| 41.02 | 58.98 |
| According to VolSite | |
| HET Code: | 14B |
|---|---|
| Formula: | C9H10NO2 |
| Molecular weight: | 164.181 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 53.35 % |
| 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 |
|---|---|---|
| 33.9815 | 79.3493 | 33.0042 |
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 |
| CAA | CE | MET- 86 | 3.96 | 0 | Hydrophobic |
| CAB | CG2 | VAL- 106 | 3.94 | 0 | Hydrophobic |
| CAB | CB | HIS- 136 | 4.31 | 0 | Hydrophobic |
| OAD | ND2 | ASN- 138 | 3.29 | 140.37 | H-Bond (Protein Donor) |
| CAK | CB | ASN- 138 | 3.64 | 0 | Hydrophobic |
| CAF | CB | ALA- 179 | 3.33 | 0 | Hydrophobic |
| OAE | CZ | ARG- 193 | 3.36 | 0 | Ionic (Protein Cationic) |
