2.590 Å
X-ray
2007-04-27
Name: | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
---|---|
ID: | DHDH_MACFA |
AC: | Q9TQS6 |
Organism: | Macaca fascicularis |
Reign: | Eukaryota |
TaxID: | 9541 |
EC Number: | 1.3.1.20 |
Chain Name: | Percentage of Residues within binding site |
---|---|
X | 100 % |
B-Factor: | 23.543 |
---|---|
Number of residues: | 13 |
Including | |
Standard Amino Acids: | 13 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.678 | 745.875 |
% Hydrophobic | % Polar |
---|---|
51.58 | 48.42 |
According to VolSite |
HET Code: | ISD |
---|---|
Formula: | C6H7O6 |
Molecular weight: | 175.116 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 48.27 % |
Polar Surface area: | 110.05 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 3 |
Rings: | 1 |
Aromatic rings: | 0 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-15.4967 | -45.0137 | 3.66717 |
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 |
C13 | CZ | PHE- 1154 | 4.35 | 0 | Hydrophobic |
C13 | CE2 | TYR- 1180 | 4.29 | 0 | Hydrophobic |
O14 | OH | TYR- 1180 | 3.49 | 147.28 | H-Bond (Protein Donor) |
C2 | CZ2 | TRP- 1254 | 4.05 | 0 | Hydrophobic |
O6 | N | ASP- 1280 | 3.29 | 155.01 | H-Bond (Protein Donor) |