2.100 Å
X-ray
2016-03-16
Name: | Putative cytochrome P450 |
---|---|
ID: | Q70AS3_STRPE |
AC: | Q70AS3 |
Organism: | Streptomyces peucetius |
Reign: | Bacteria |
TaxID: | 1950 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 91 % |
C | 9 % |
B-Factor: | 45.248 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.303 | 513.000 |
% Hydrophobic | % Polar |
---|---|
54.61 | 45.39 |
According to VolSite |
HET Code: | 2OH |
---|---|
Formula: | C15H16O2 |
Molecular weight: | 228.286 g/mol |
DrugBank ID: | DB06973 |
Buried Surface Area: | 68.62 % |
Polar Surface area: | 40.46 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 2 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
56.7272 | -4.16612 | 52.8219 |
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 | CB | PRO- 82 | 3.89 | 0 | Hydrophobic |
C14 | CG | PRO- 82 | 3.46 | 0 | Hydrophobic |
C12 | CB | SER- 86 | 4.15 | 0 | Hydrophobic |
O2 | NE2 | GLN- 177 | 3.37 | 165.38 | H-Bond (Protein Donor) |
C14 | CB | ALA- 180 | 3.89 | 0 | Hydrophobic |
C9 | CB | ALA- 181 | 4.07 | 0 | Hydrophobic |
C8 | CB | ALA- 181 | 3.88 | 0 | Hydrophobic |
C8 | SD | MET- 187 | 4.15 | 0 | Hydrophobic |
C7 | SD | MET- 187 | 4.1 | 0 | Hydrophobic |
C7 | CE | MET- 187 | 3.62 | 0 | Hydrophobic |
C5 | CD2 | LEU- 189 | 3.88 | 0 | Hydrophobic |
C3 | CD1 | LEU- 193 | 4.11 | 0 | Hydrophobic |
C12 | CG2 | THR- 233 | 3.39 | 0 | Hydrophobic |
C14 | CD1 | ILE- 236 | 3.8 | 0 | Hydrophobic |