2.200 Å
X-ray
2007-06-12
Name: | Signal recognition particle receptor FtsY |
---|---|
ID: | FTSY_THEAQ |
AC: | P83749 |
Organism: | Thermus aquaticus |
Reign: | Bacteria |
TaxID: | 271 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 98 % |
B | 2 % |
B-Factor: | 27.938 |
---|---|
Number of residues: | 45 |
Including | |
Standard Amino Acids: | 40 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 5 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.359 | 435.375 |
% Hydrophobic | % Polar |
---|---|
24.81 | 75.19 |
According to VolSite |
HET Code: | GNP |
---|---|
Formula: | C10H13N6O13P3 |
Molecular weight: | 518.164 g/mol |
DrugBank ID: | DB02082 |
Buried Surface Area: | 54.88 % |
Polar Surface area: | 338.36 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
49.5129 | 69.4383 | 55.9918 |
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- 114 | 2.77 | 145.52 | H-Bond (Protein Donor) |
O2B | N | LYS- 115 | 2.9 | 154.9 | H-Bond (Protein Donor) |
O1B | N | THR- 116 | 2.8 | 155.52 | H-Bond (Protein Donor) |
O1A | N | THR- 117 | 2.6 | 165.82 | H-Bond (Protein Donor) |
O1A | OG1 | THR- 117 | 3.45 | 127.64 | H-Bond (Protein Donor) |
C2' | CB | THR- 117 | 3.97 | 0 | Hydrophobic |
O6 | N | LYS- 256 | 2.98 | 179.05 | H-Bond (Protein Donor) |
N1 | OD1 | ASP- 258 | 3.41 | 153.93 | H-Bond (Ligand Donor) |
N2 | OD2 | ASP- 258 | 3.31 | 155.91 | H-Bond (Ligand Donor) |
N2 | OD1 | ASP- 258 | 3.42 | 151.69 | H-Bond (Ligand Donor) |
O2' | OE1 | GLU- 284 | 2.62 | 130.41 | H-Bond (Ligand Donor) |
C1' | CG | GLU- 284 | 4.49 | 0 | Hydrophobic |
O1G | O | HOH- 946 | 2.83 | 123.79 | H-Bond (Protein Donor) |
O6 | O | HOH- 968 | 2.85 | 127.54 | H-Bond (Protein Donor) |
O3G | O | HOH- 1083 | 3.3 | 179.96 | H-Bond (Protein Donor) |