2.840 Å
X-ray
2012-02-13
| Name: | Lysine--tRNA ligase |
|---|---|
| ID: | SYK_HUMAN |
| AC: | Q15046 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 6.1.1.6 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| H | 100 % |
| B-Factor: | 33.407 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MG |
| Ligandability | Volume (Å3) |
|---|---|
| 0.797 | 1535.625 |
| % Hydrophobic | % Polar |
|---|---|
| 34.51 | 65.49 |
| According to VolSite | |

| HET Code: | APC |
|---|---|
| Formula: | C11H14N5O12P3 |
| Molecular weight: | 501.176 g/mol |
| DrugBank ID: | DB02596 |
| Buried Surface Area: | 48.53 % |
| Polar Surface area: | 310.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 16 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 4 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 52.1686 | -10.7191 | 27.6535 |
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 |
| O1B | NE2 | HIS- 331 | 3.29 | 140.75 | H-Bond (Protein Donor) |
| N1 | N | ASN- 332 | 3.41 | 163.19 | H-Bond (Protein Donor) |
| C1' | CE2 | PHE- 335 | 4.14 | 0 | Hydrophobic |
| DuAr | DuAr | PHE- 335 | 3.89 | 0 | Aromatic Face/Face |
| O2B | NH2 | ARG- 553 | 2.97 | 144.13 | H-Bond (Protein Donor) |
| O2B | CZ | ARG- 553 | 3.89 | 0 | Ionic (Protein Cationic) |
| O1A | MG | MG- 604 | 2.17 | 0 | Metal Acceptor |