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 |
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) |