2.500 Å
X-ray
2012-09-14
| Name: | tRNA (guanine-N(1)-)-methyltransferase |
|---|---|
| ID: | TRMD_PARP8 |
| AC: | B2JF31 |
| Organism: | Paraburkholderia phymatum |
| Reign: | Bacteria |
| TaxID: | 391038 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 80 % |
| B | 20 % |
| B-Factor: | 35.282 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.306 | 1292.625 |
| % Hydrophobic | % Polar |
|---|---|
| 45.17 | 54.83 |
| According to VolSite | |

| HET Code: | SAH |
|---|---|
| Formula: | C14H20N6O5S |
| Molecular weight: | 384.411 g/mol |
| DrugBank ID: | DB01752 |
| Buried Surface Area: | 71.55 % |
| Polar Surface area: | 212.38 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 10 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| -1.50888 | -37.6988 | -11.3297 |
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 |
| O2' | O | MET- 91 | 2.55 | 146.6 | H-Bond (Ligand Donor) |
| CB | CG | PRO- 93 | 3.89 | 0 | Hydrophobic |
| O2' | N | GLY- 117 | 3.13 | 150.61 | H-Bond (Protein Donor) |
| N | O | GLU- 120 | 2.78 | 168.49 | H-Bond (Ligand Donor) |
| N1 | N | LEU- 137 | 2.8 | 172 | H-Bond (Protein Donor) |
| N6 | O | GLY- 138 | 3.13 | 130.36 | H-Bond (Ligand Donor) |
| N6 | O | PHE- 140 | 3.06 | 154.62 | H-Bond (Ligand Donor) |
| CB | CG1 | VAL- 141 | 4.12 | 0 | Hydrophobic |
| SD | CG1 | VAL- 141 | 4.19 | 0 | Hydrophobic |
| N7 | N | LEU- 142 | 3.23 | 171.41 | H-Bond (Protein Donor) |
| O | N | SER- 174 | 2.71 | 168.64 | H-Bond (Protein Donor) |
| OXT | OG | SER- 174 | 2.75 | 157.07 | H-Bond (Protein Donor) |
| N | OD2 | ASP- 181 | 3.8 | 0 | Ionic (Ligand Cationic) |