sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 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: | 22.626 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.797 | 853.875 |
| % Hydrophobic | % Polar |
|---|---|
| 44.66 | 55.34 |
| According to VolSite | |
| HET Code: | 17D |
|---|---|
| Formula: | C14H11O2 |
| Molecular weight: | 211.236 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 74.12 % |
| Polar Surface area: | 40.12 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -32.9811 | 34.6672 | 54.1034 |
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 |
| CAF | CE | MET- 86 | 3.65 | 0 | Hydrophobic |
| CAG | CE | MET- 86 | 3.62 | 0 | Hydrophobic |
| CAC | CG2 | VAL- 106 | 3.66 | 0 | Hydrophobic |
| CAL | CB | ASN- 138 | 3.81 | 0 | Hydrophobic |
| CAN | CB | ASN- 138 | 3.73 | 0 | Hydrophobic |
| CAJ | CB | ALA- 179 | 3.41 | 0 | Hydrophobic |
| CAI | CB | ALA- 179 | 3.93 | 0 | Hydrophobic |
| CAL | CB | ALA- 179 | 3.7 | 0 | Hydrophobic |
| OAB | OH | TYR- 186 | 3.18 | 134.83 | H-Bond (Protein Donor) |
| CAK | CZ | TYR- 186 | 3.39 | 0 | Hydrophobic |
| OAB | NH2 | ARG- 193 | 2.84 | 144.67 | H-Bond (Protein Donor) |
| OAB | CZ | ARG- 193 | 3.88 | 0 | Ionic (Protein Cationic) |
| CAK | CB | LEU- 205 | 3.8 | 0 | Hydrophobic |
| CAC | CG | PRO- 207 | 4.48 | 0 | Hydrophobic |
