1.700 Å
X-ray
2006-07-17
Name: | Oleandomycin glycosyltransferase |
---|---|
ID: | OLED_STRAT |
AC: | Q53685 |
Organism: | Streptomyces antibioticus |
Reign: | Bacteria |
TaxID: | 1890 |
EC Number: | 2.4.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 17.470 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 3 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.050 | 725.625 |
% Hydrophobic | % Polar |
---|---|
40.93 | 59.07 |
According to VolSite |
HET Code: | ERY |
---|---|
Formula: | C37H68NO13 |
Molecular weight: | 734.935 g/mol |
DrugBank ID: | DB00199 |
Buried Surface Area: | 47.11 % |
Polar Surface area: | 195.11 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 13 |
H-Bond Donors: | 6 |
Rings: | 3 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
-49.1442 | -14.893 | -15.515 |
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 |
O8 | NE2 | HIS- 19 | 2.6 | 154.35 | H-Bond (Protein Donor) |
C25 | CD2 | TRP- 73 | 3.81 | 0 | Hydrophobic |
C27 | CB | TRP- 73 | 3.83 | 0 | Hydrophobic |
C32 | CB | ASN- 80 | 4.26 | 0 | Hydrophobic |
C27 | CB | ASN- 80 | 3.73 | 0 | Hydrophobic |
C32 | CG1 | VAL- 81 | 4.29 | 0 | Hydrophobic |
C7 | CE1 | PHE- 84 | 4.27 | 0 | Hydrophobic |
C8 | CD1 | PHE- 84 | 4.01 | 0 | Hydrophobic |
C33 | CG | PHE- 84 | 3.66 | 0 | Hydrophobic |
C32 | CE1 | PHE- 84 | 4.15 | 0 | Hydrophobic |
C35 | CD1 | ILE- 111 | 3.69 | 0 | Hydrophobic |
C31 | CD1 | ILE- 111 | 4.05 | 0 | Hydrophobic |
C33 | CG2 | THR- 112 | 4.41 | 0 | Hydrophobic |
C34 | CE1 | TYR- 114 | 4.29 | 0 | Hydrophobic |
C33 | CZ | TYR- 114 | 4.35 | 0 | Hydrophobic |
C30 | CG | LEU- 134 | 4.25 | 0 | Hydrophobic |
C37 | CD1 | LEU- 134 | 3.71 | 0 | Hydrophobic |
C37 | CZ | TYR- 140 | 3.8 | 0 | Hydrophobic |
C34 | CB | ALA- 182 | 3.71 | 0 | Hydrophobic |
O13 | OG | SER- 183 | 2.88 | 153.75 | H-Bond (Protein Donor) |
C19 | CB | ASP- 329 | 3.96 | 0 | Hydrophobic |