1.850 Å
X-ray
2007-01-03
Name: | 3-methyladenine DNA glycosylase I |
---|---|
ID: | Q8Z2A5_SALTI |
AC: | Q8Z2A5 |
Organism: | Salmonella typhi |
Reign: | Bacteria |
TaxID: | 90370 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 29.545 |
---|---|
Number of residues: | 18 |
Including | |
Standard Amino Acids: | 14 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.343 | 303.750 |
% Hydrophobic | % Polar |
---|---|
42.22 | 57.78 |
According to VolSite |
HET Code: | ADK |
---|---|
Formula: | C6H7N5 |
Molecular weight: | 149.153 g/mol |
DrugBank ID: | DB04104 |
Buried Surface Area: | 66.8 % |
Polar Surface area: | 69.62 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 1 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 0 |
X | Y | Z |
---|---|---|
-5.80827 | 34.0833 | 46.5865 |
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 |
N6 | OH | TYR- 16 | 3 | 168.93 | H-Bond (Ligand Donor) |
N6 | OE2 | GLU- 38 | 2.75 | 155.88 | H-Bond (Ligand Donor) |
N7 | OE1 | GLU- 38 | 2.57 | 159.67 | H-Bond (Ligand Donor) |
N7 | OE2 | GLU- 38 | 3.48 | 132.66 | H-Bond (Ligand Donor) |
C5 | CB | TRP- 46 | 3.75 | 0 | Hydrophobic |
C5 | CB | SER- 164 | 4.44 | 0 | Hydrophobic |