2.900 Å
X-ray
2005-03-03
Name: | Resveratrol synthase |
---|---|
ID: | Q9SLV5_ARAHY |
AC: | Q9SLV5 |
Organism: | Arachis hypogaea |
Reign: | Eukaryota |
TaxID: | 3818 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 16.878 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.447 | 972.000 |
% Hydrophobic | % Polar |
---|---|
62.50 | 37.50 |
According to VolSite |
HET Code: | STL |
---|---|
Formula: | C14H12O3 |
Molecular weight: | 228.243 g/mol |
DrugBank ID: | DB02709 |
Buried Surface Area: | 77.46 % |
Polar Surface area: | 60.69 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
17.4918 | 33.7924 | 13.1194 |
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 |
C10 | CG2 | THR- 132 | 4.34 | 0 | Hydrophobic |
C4 | SG | CYS- 164 | 3.61 | 0 | Hydrophobic |
C12 | CB | GLU- 192 | 3.75 | 0 | Hydrophobic |
C12 | CG2 | THR- 194 | 3.66 | 0 | Hydrophobic |
C10 | CG2 | THR- 197 | 3.89 | 0 | Hydrophobic |
C14 | CB | PHE- 215 | 3.93 | 0 | Hydrophobic |
O1 | O | ALA- 216 | 2.76 | 122.46 | H-Bond (Ligand Donor) |
C3 | CG2 | ILE- 254 | 3.84 | 0 | Hydrophobic |
C2 | CB | PHE- 265 | 4.05 | 0 | Hydrophobic |
C3 | CD2 | LEU- 267 | 4.18 | 0 | Hydrophobic |
C14 | CB | SER- 338 | 3.43 | 0 | Hydrophobic |
C2 | CG | PRO- 375 | 4.28 | 0 | Hydrophobic |