2.510 Å
X-ray
2008-06-30
| Name: | Signal recognition particle 54 kDa protein |
|---|---|
| ID: | SRP54_PYRFU |
| AC: | Q8U070 |
| Organism: | Pyrococcus furiosus |
| Reign: | Archaea |
| TaxID: | 186497 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 90 % |
| B | 10 % |
| B-Factor: | 45.308 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | GDP |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.026 | 1265.625 |
| % Hydrophobic | % Polar |
|---|---|
| 37.87 | 62.13 |
| According to VolSite | |

| HET Code: | GDP |
|---|---|
| Formula: | C10H12N5O11P2 |
| Molecular weight: | 440.177 g/mol |
| DrugBank ID: | DB04315 |
| Buried Surface Area: | 65.12 % |
| Polar Surface area: | 276.39 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 14 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 3 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 21.3132 | -47.321 | 44.2173 |
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 |
| O2B | N | GLY- 110 | 3.05 | 175.06 | H-Bond (Protein Donor) |
| O1B | N | GLY- 112 | 2.62 | 146.6 | H-Bond (Protein Donor) |
| O1B | N | LYS- 113 | 3.29 | 133.49 | H-Bond (Protein Donor) |
| O3B | NZ | LYS- 113 | 3.76 | 0 | Ionic (Protein Cationic) |
| O3B | N | THR- 114 | 2.89 | 168.69 | H-Bond (Protein Donor) |
| O3B | OG1 | THR- 114 | 2.64 | 173.11 | H-Bond (Protein Donor) |
| O2A | OG1 | THR- 115 | 2.72 | 170.51 | H-Bond (Protein Donor) |
| O2A | N | THR- 115 | 2.85 | 166.53 | H-Bond (Protein Donor) |
| O2B | NH1 | ARG- 140 | 3.05 | 137.03 | H-Bond (Protein Donor) |
| O1A | NE2 | GLN- 146 | 3.04 | 160.66 | H-Bond (Protein Donor) |
| O4' | NZ | LYS- 248 | 3.25 | 122.36 | H-Bond (Protein Donor) |
| O6 | N | LYS- 248 | 2.99 | 150.18 | H-Bond (Protein Donor) |
| N1 | OD1 | ASP- 250 | 2.96 | 154.23 | H-Bond (Ligand Donor) |
| N2 | OD2 | ASP- 250 | 2.94 | 163.51 | H-Bond (Ligand Donor) |
| O6 | N | GLY- 275 | 3.2 | 125.04 | H-Bond (Protein Donor) |
| O3' | OE2 | GLU- 276 | 3.46 | 121.59 | H-Bond (Ligand Donor) |
| N7 | O | HOH- 518 | 2.71 | 166.2 | H-Bond (Protein Donor) |
| N3 | O | HOH- 557 | 3.18 | 179.97 | H-Bond (Protein Donor) |