1.670 Å
X-ray
2012-08-09
| 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 |
|---|---|
| A | 100 % |
| B-Factor: | 16.455 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.753 | 914.625 |
| % Hydrophobic | % Polar |
|---|---|
| 40.59 | 59.41 |
| According to VolSite | |

| HET Code: | 636 |
|---|---|
| Formula: | C16H13NO4 |
| Molecular weight: | 283.279 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.18 % |
| Polar Surface area: | 92.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 2.32748 | -28.3009 | 33.6517 |
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 |
| CX4 | CE | MET- 86 | 4.45 | 0 | Hydrophobic |
| C3 | CE | MET- 86 | 4.08 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 106 | 4.28 | 0 | Hydrophobic |
| OX1 | ND2 | ASN- 138 | 2.82 | 154.78 | H-Bond (Protein Donor) |
| CY5 | CB | ASN- 138 | 3.9 | 0 | Hydrophobic |
| CX3 | CB | ALA- 179 | 3.63 | 0 | Hydrophobic |
| CY6 | CB | ALA- 179 | 3.82 | 0 | Hydrophobic |
| CX4 | CB | ALA- 179 | 3.41 | 0 | Hydrophobic |
| CX6 | CG | PRO- 180 | 4.17 | 0 | Hydrophobic |
| CX4 | CB | HIS- 183 | 3.65 | 0 | Hydrophobic |
| C3 | CE2 | TYR- 186 | 4.16 | 0 | Hydrophobic |
| CX4 | CD2 | TYR- 186 | 3.5 | 0 | Hydrophobic |
| CX5 | CB | TYR- 186 | 4.28 | 0 | Hydrophobic |
| OX2 | NH1 | ARG- 193 | 3.28 | 135.24 | H-Bond (Protein Donor) |
| OY1 | NH1 | ARG- 193 | 3.07 | 140.92 | H-Bond (Protein Donor) |
| OY1 | NH2 | ARG- 193 | 2.88 | 152.27 | H-Bond (Protein Donor) |
| OY2 | NH2 | ARG- 193 | 3.38 | 143.49 | H-Bond (Protein Donor) |
| OY1 | CZ | ARG- 193 | 3.4 | 0 | Ionic (Protein Cationic) |
| OY2 | O | HOH- 520 | 2.8 | 179.97 | H-Bond (Protein Donor) |