2.100 Å
X-ray
2002-10-24
Min | Mean | Median | Standard Deviation | Max | Count | |
---|---|---|---|---|---|---|
pChEMBL: | 4.080 | 4.080 | 4.080 | 0.000 | 4.080 | 1 |
Name: | Queuine tRNA-ribosyltransferase |
---|---|
ID: | TGT_ZYMMO |
AC: | P28720 |
Organism: | Zymomonas mobilis subsp. mobilis |
Reign: | Bacteria |
TaxID: | 264203 |
EC Number: | 2.4.2.29 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 32.004 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.550 | 384.750 |
% Hydrophobic | % Polar |
---|---|
42.98 | 57.02 |
According to VolSite |
HET Code: | BDI |
---|---|
Formula: | C9H12N4O2 |
Molecular weight: | 208.217 g/mol |
DrugBank ID: | DB02441 |
Buried Surface Area: | 59.02 % |
Polar Surface area: | 86.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 1 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
16.2287 | 17.4043 | 20.8774 |
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 |
C6 | CE1 | TYR- 106 | 4.45 | 0 | Hydrophobic |
C7 | CE2 | TYR- 106 | 3.71 | 0 | Hydrophobic |
C8 | CZ | TYR- 106 | 3.95 | 0 | Hydrophobic |
C9 | CE2 | TYR- 106 | 3.86 | 0 | Hydrophobic |
N5 | OD2 | ASP- 156 | 2.68 | 154.96 | H-Bond (Ligand Donor) |
N4 | OD1 | ASP- 156 | 2.77 | 133.25 | H-Bond (Ligand Donor) |
O3 | NE2 | GLN- 203 | 3.22 | 160 | H-Bond (Protein Donor) |
O3 | N | GLY- 230 | 2.73 | 143.7 | H-Bond (Protein Donor) |
C6 | CB | ALA- 232 | 4.03 | 0 | Hydrophobic |
C8 | CB | ALA- 232 | 3.96 | 0 | Hydrophobic |
C6 | CB | MET- 260 | 4.19 | 0 | Hydrophobic |
N1 | O | HOH- 1401 | 3.1 | 167.6 | H-Bond (Ligand Donor) |
O1 | O | HOH- 1404 | 2.63 | 160.61 | H-Bond (Protein Donor) |