3.000 Å
X-ray
1996-06-14
Name: | Glutamine--tRNA ligase |
---|---|
ID: | SYQ_ECOLI |
AC: | P00962 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | 6.1.1.18 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 5.187 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.191 | 681.750 |
% Hydrophobic | % Polar |
---|---|
40.10 | 59.90 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 60.16 % |
Polar Surface area: | 319.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
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 |
---|---|---|
44.3603 | 26.7613 | 17.1098 |
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 |
C4' | CE1 | PHE- 31 | 4.03 | 0 | Hydrophobic |
C5' | CB | PRO- 33 | 4.22 | 0 | Hydrophobic |
O1A | N | GLU- 34 | 3.35 | 139.74 | H-Bond (Protein Donor) |
O1B | NE2 | HIS- 43 | 2.95 | 141.15 | H-Bond (Protein Donor) |
O2A | NE2 | HIS- 43 | 3.12 | 128.19 | H-Bond (Protein Donor) |
C1' | CB | SER- 46 | 3.83 | 0 | Hydrophobic |
C2' | CG2 | THR- 230 | 4.32 | 0 | Hydrophobic |
N6 | O | LEU- 261 | 3.28 | 170.81 | H-Bond (Ligand Donor) |
N1 | N | LEU- 261 | 2.96 | 166.33 | H-Bond (Protein Donor) |
O2G | N | LYS- 270 | 3.32 | 156.36 | H-Bond (Protein Donor) |
O2A | NZ | LYS- 270 | 2.84 | 162.35 | H-Bond (Protein Donor) |
O3G | NZ | LYS- 270 | 3.13 | 0 | Ionic (Protein Cationic) |
O2A | NZ | LYS- 270 | 2.84 | 0 | Ionic (Protein Cationic) |