2.100 Å
X-ray
2011-07-18
Name: | Sulfide-quinone reductase |
---|---|
ID: | SQRD_ACIF2 |
AC: | B7JBP8 |
Organism: | Acidithiobacillus ferrooxidans ) |
Reign: | Bacteria |
TaxID: | 243159 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 34.705 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | FAD |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.238 | 499.500 |
% Hydrophobic | % Polar |
---|---|
72.30 | 27.70 |
According to VolSite |
HET Code: | DCQ |
---|---|
Formula: | C19H30O4 |
Molecular weight: | 322.439 g/mol |
DrugBank ID: | DB07640 |
Buried Surface Area: | 50.19 % |
Polar Surface area: | 52.6 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 0 |
Rings: | 1 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
42.742 | -8.88726 | 5.7567 |
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 |
C4M | CZ | PHE- 41 | 3.68 | 0 | Hydrophobic |
C3M | CG | PRO- 43 | 3.69 | 0 | Hydrophobic |
C4M | CB | PRO- 43 | 4.47 | 0 | Hydrophobic |
C1M | CB | TYR- 323 | 3.67 | 0 | Hydrophobic |
C13 | CG | TYR- 323 | 4.43 | 0 | Hydrophobic |
C10 | CG1 | VAL- 355 | 4.39 | 0 | Hydrophobic |
C12 | CG2 | VAL- 355 | 4.04 | 0 | Hydrophobic |
C14 | CG2 | VAL- 355 | 4.05 | 0 | Hydrophobic |
C7 | CG1 | VAL- 355 | 3.66 | 0 | Hydrophobic |
C7 | CE2 | PHE- 357 | 3.73 | 0 | Hydrophobic |
C14 | CG2 | ILE- 368 | 4.06 | 0 | Hydrophobic |
C15 | CD1 | LEU- 370 | 4.46 | 0 | Hydrophobic |
C4M | CG | LYS- 391 | 4.32 | 0 | Hydrophobic |
C4M | CD2 | PHE- 394 | 3.32 | 0 | Hydrophobic |
C1M | CZ | PHE- 394 | 4.21 | 0 | Hydrophobic |
C8 | CE1 | PHE- 394 | 4.05 | 0 | Hydrophobic |
DuAr | DuAr | PHE- 394 | 3.99 | 0 | Aromatic Edge/Face |
O2 | OH | TYR- 411 | 2.95 | 128.46 | H-Bond (Ligand Donor) |
C1M | CZ | TYR- 411 | 3.29 | 0 | Hydrophobic |