2.340 Å
X-ray
2015-12-10
| Name: | Protein arginine N-methyltransferase 5 |
|---|---|
| ID: | ANM5_HUMAN |
| AC: | O14744 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| C | 0 % |
| B-Factor: | 51.098 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.690 | 340.875 |
| % Hydrophobic | % Polar |
|---|---|
| 59.41 | 40.59 |
| According to VolSite | |

| HET Code: | MTA |
|---|---|
| Formula: | C11H15N5O3S |
| Molecular weight: | 297.333 g/mol |
| DrugBank ID: | DB02282 |
| Buried Surface Area: | 77.92 % |
| Polar Surface area: | 144.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -16.5497 | -101.011 | -3.908 |
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 |
| S5' | CG | PRO- 314 | 4.23 | 0 | Hydrophobic |
| C5' | CB | PRO- 314 | 4 | 0 | Hydrophobic |
| C2' | CB | PRO- 314 | 3.91 | 0 | Hydrophobic |
| S5' | CD1 | LEU- 319 | 4.1 | 0 | Hydrophobic |
| C3' | CD1 | LEU- 319 | 4.45 | 0 | Hydrophobic |
| C3' | CE1 | TYR- 324 | 4 | 0 | Hydrophobic |
| O3' | OH | TYR- 324 | 2.65 | 152.82 | H-Bond (Protein Donor) |
| S5' | CE2 | PHE- 327 | 3.55 | 0 | Hydrophobic |
| O2' | OE2 | GLU- 392 | 2.64 | 162.55 | H-Bond (Ligand Donor) |
| O3' | OE1 | GLU- 392 | 2.62 | 161.39 | H-Bond (Ligand Donor) |
| O3' | OE2 | GLU- 392 | 3.26 | 120.66 | H-Bond (Ligand Donor) |
| N3 | N | LYS- 393 | 3.41 | 137.9 | H-Bond (Protein Donor) |
| N6 | OD1 | ASP- 419 | 2.99 | 148.44 | H-Bond (Ligand Donor) |
| N1 | N | MET- 420 | 2.92 | 169.73 | H-Bond (Protein Donor) |
| CS | CG | GLU- 435 | 3.66 | 0 | Hydrophobic |
| C1' | CD2 | LEU- 436 | 4.41 | 0 | Hydrophobic |
| C5' | CD2 | LEU- 436 | 4.11 | 0 | Hydrophobic |
| O2' | O | HOH- 838 | 2.69 | 150.88 | H-Bond (Protein Donor) |