2.120 Å
X-ray
2014-07-09
Name: | 18S rRNA (guanine(1575)-N(7))-methyltransferase |
---|---|
ID: | BUD23_YEAST |
AC: | P25627 |
Organism: | Saccharomyces cerevisiae |
Reign: | Eukaryota |
TaxID: | 559292 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 34.047 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 38 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.006 | 651.375 |
% Hydrophobic | % Polar |
---|---|
51.81 | 48.19 |
According to VolSite |
HET Code: | SAM |
---|---|
Formula: | C15H23N6O5S |
Molecular weight: | 399.445 g/mol |
DrugBank ID: | DB00118 |
Buried Surface Area: | 73.27 % |
Polar Surface area: | 189.77 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 9 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 2 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
19.6309 | -13.056 | 37.3236 |
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 |
C3' | CE2 | TYR- 14 | 3.85 | 0 | Hydrophobic |
O | OH | TYR- 22 | 2.78 | 172.4 | H-Bond (Protein Donor) |
CE | CZ | TYR- 22 | 3.83 | 0 | Hydrophobic |
SD | CZ | TYR- 22 | 4.05 | 0 | Hydrophobic |
OXT | NE2 | GLN- 32 | 2.66 | 163.28 | H-Bond (Protein Donor) |
N | O | GLY- 55 | 2.9 | 157.37 | H-Bond (Ligand Donor) |
N | OG | SER- 61 | 3.05 | 156.63 | H-Bond (Ligand Donor) |
O3' | OD2 | ASP- 77 | 2.62 | 167.65 | H-Bond (Ligand Donor) |
O2' | OD2 | ASP- 77 | 3.22 | 148.8 | H-Bond (Ligand Donor) |
N3 | N | ILE- 78 | 3.3 | 139.05 | H-Bond (Protein Donor) |
N6 | OD1 | ASP- 99 | 2.79 | 141.85 | H-Bond (Ligand Donor) |
N1 | N | MET- 100 | 2.9 | 173.63 | H-Bond (Protein Donor) |
N | O | ILE- 117 | 3.23 | 167.97 | H-Bond (Ligand Donor) |
CG | CB | SER- 118 | 4.28 | 0 | Hydrophobic |
CE | CB | SER- 118 | 4.06 | 0 | Hydrophobic |
C4' | CB | ALA- 119 | 4.32 | 0 | Hydrophobic |
O | O | HOH- 406 | 2.73 | 179.97 | H-Bond (Protein Donor) |