1.900 Å
X-ray
2009-01-02
Name: | 15-O-acetyltransferase |
---|---|
ID: | Q9C1B7_FUSSP |
AC: | Q9C1B7 |
Organism: | Fusarium sporotrichioides |
Reign: | Eukaryota |
TaxID: | 5514 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 11.774 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.459 | 421.875 |
% Hydrophobic | % Polar |
---|---|
53.60 | 46.40 |
According to VolSite |
HET Code: | FP0 |
---|---|
Formula: | C17H24O5 |
Molecular weight: | 308.369 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 66.04 % |
Polar Surface area: | 68.29 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 1 |
Rings: | 4 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
16.4997 | 5.46382 | -30.0501 |
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 |
C14 | CB | ALA- 36 | 4.36 | 0 | Hydrophobic |
C2 | CD1 | ILE- 39 | 4.46 | 0 | Hydrophobic |
C13 | CG2 | ILE- 39 | 4.09 | 0 | Hydrophobic |
C13 | CG1 | VAL- 40 | 3.39 | 0 | Hydrophobic |
C8 | CD1 | TYR- 51 | 4.14 | 0 | Hydrophobic |
C13 | CD2 | TYR- 51 | 4.28 | 0 | Hydrophobic |
C16 | CE1 | TYR- 51 | 3.52 | 0 | Hydrophobic |
C18 | CB | PRO- 336 | 4.1 | 0 | Hydrophobic |
C4 | CB | SER- 338 | 3.73 | 0 | Hydrophobic |
C18 | CB | SER- 338 | 4.39 | 0 | Hydrophobic |
C15 | CB | SER- 338 | 4.31 | 0 | Hydrophobic |
C14 | SD | MET- 356 | 4.25 | 0 | Hydrophobic |
C14 | CG | GLN- 358 | 4.15 | 0 | Hydrophobic |
O4 | NE2 | HIS- 414 | 3.18 | 121.68 | H-Bond (Protein Donor) |
C11 | CD2 | LEU- 435 | 4.01 | 0 | Hydrophobic |
C18 | CD1 | LEU- 435 | 4.01 | 0 | Hydrophobic |
C8 | CD1 | ILE- 437 | 4.47 | 0 | Hydrophobic |
C15 | CD1 | ILE- 437 | 4.37 | 0 | Hydrophobic |
C16 | CD1 | ILE- 437 | 3.86 | 0 | Hydrophobic |
C8 | CG1 | VAL- 469 | 4.5 | 0 | Hydrophobic |
C16 | CG1 | VAL- 469 | 4.5 | 0 | Hydrophobic |
C16 | CB | ALA- 477 | 4.11 | 0 | Hydrophobic |
C16 | CD1 | ILE- 492 | 3.77 | 0 | Hydrophobic |
O12 | O | HOH- 523 | 2.6 | 139.98 | H-Bond (Protein Donor) |
O12 | O | HOH- 696 | 3.07 | 154.75 | H-Bond (Ligand Donor) |