sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.730 Å
X-ray
2011-03-23
| 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: | 19.070 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.771 | 965.250 |
| % Hydrophobic | % Polar |
|---|---|
| 40.21 | 59.79 |
| According to VolSite | |
| HET Code: | 14F |
|---|---|
| Formula: | C9H10NO4 |
| Molecular weight: | 196.180 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.94 % |
| Polar Surface area: | 84.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -4.29407 | -29.9158 | 6.30707 |
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 | 4.35 | 0 | Hydrophobic |
| OAI | ND2 | ASN- 138 | 2.85 | 144.35 | H-Bond (Protein Donor) |
| CAA | CB | ALA- 179 | 3.61 | 0 | Hydrophobic |
| CAL | CB | ALA- 179 | 4.43 | 0 | Hydrophobic |
| CAM | CG | PRO- 180 | 3.79 | 0 | Hydrophobic |
| CAK | CB | PRO- 180 | 3.91 | 0 | Hydrophobic |
| CAA | CB | HIS- 183 | 3.95 | 0 | Hydrophobic |
| CAF | CB | HIS- 183 | 4.4 | 0 | Hydrophobic |
| NAC | O | HIS- 183 | 3.08 | 171.04 | H-Bond (Ligand Donor) |
| CAA | CD2 | TYR- 186 | 3.48 | 0 | Hydrophobic |
| CAF | CB | TYR- 186 | 3.93 | 0 | Hydrophobic |
| CAB | CB | ALA- 190 | 4.4 | 0 | Hydrophobic |
| CAG | CB | ALA- 190 | 3.41 | 0 | Hydrophobic |
| OAD | NH1 | ARG- 194 | 3.46 | 156.91 | H-Bond (Protein Donor) |
