1.550 Å
X-ray
2009-01-29
Name: | Sulfotransferase 1 family member D1 |
---|---|
ID: | ST1D1_MOUSE |
AC: | Q3UZZ6 |
Organism: | Mus musculus |
Reign: | Eukaryota |
TaxID: | 10090 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
X | 100 % |
B-Factor: | 18.381 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 37 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.331 | 381.375 |
% Hydrophobic | % Polar |
---|---|
51.33 | 48.67 |
According to VolSite |
HET Code: | PPS |
---|---|
Formula: | C10H11N5O13P2S |
Molecular weight: | 503.233 g/mol |
DrugBank ID: | DB02902 |
Buried Surface Area: | 81.77 % |
Polar Surface area: | 315.29 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
19.3533 | 1.69594 | 10.9098 |
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 |
OS1 | NZ | LYS- 48 | 3.16 | 130.4 | H-Bond (Protein Donor) |
OS3 | N | LYS- 48 | 2.93 | 153.35 | H-Bond (Protein Donor) |
O6P | NZ | LYS- 48 | 2.91 | 159.65 | H-Bond (Protein Donor) |
OS1 | NZ | LYS- 48 | 3.16 | 0 | Ionic (Protein Cationic) |
O5P | N | GLY- 50 | 3.14 | 154.07 | H-Bond (Protein Donor) |
O5P | OG1 | THR- 51 | 2.62 | 151.49 | H-Bond (Protein Donor) |
O5P | N | THR- 51 | 2.83 | 158.05 | H-Bond (Protein Donor) |
O4P | OG1 | THR- 52 | 2.68 | 156.94 | H-Bond (Protein Donor) |
O4P | N | THR- 52 | 2.91 | 164.81 | H-Bond (Protein Donor) |
DuAr | DuAr | TRP- 53 | 3.83 | 0 | Aromatic Face/Face |
OS2 | NZ | LYS- 106 | 3.16 | 149.01 | H-Bond (Protein Donor) |
OS2 | NZ | LYS- 106 | 3.16 | 0 | Ionic (Protein Cationic) |
O3' | NH1 | ARG- 130 | 3.16 | 152.46 | H-Bond (Protein Donor) |
O3P | NH2 | ARG- 130 | 2.89 | 149.35 | H-Bond (Protein Donor) |
O3P | NH1 | ARG- 130 | 3.29 | 132.03 | H-Bond (Protein Donor) |
O3P | CZ | ARG- 130 | 3.51 | 0 | Ionic (Protein Cationic) |
O3' | OG | SER- 138 | 3.47 | 134.05 | H-Bond (Protein Donor) |
O1P | OG | SER- 138 | 2.73 | 157.03 | H-Bond (Protein Donor) |
C1' | CE1 | TYR- 193 | 4.26 | 0 | Hydrophobic |
N3 | OH | TYR- 193 | 2.87 | 132.14 | H-Bond (Protein Donor) |
N6 | O | SER- 227 | 2.81 | 130.23 | H-Bond (Ligand Donor) |
C5' | CE2 | PHE- 255 | 4.16 | 0 | Hydrophobic |
O2' | N | ARG- 257 | 3.29 | 148.75 | H-Bond (Protein Donor) |
O1P | NE | ARG- 257 | 2.88 | 162.73 | H-Bond (Protein Donor) |
O3P | NH2 | ARG- 257 | 3.28 | 143.8 | H-Bond (Protein Donor) |
O1P | CZ | ARG- 257 | 3.67 | 0 | Ionic (Protein Cationic) |
O2P | N | LYS- 258 | 2.84 | 162.07 | H-Bond (Protein Donor) |
O2P | N | GLY- 259 | 2.8 | 161.75 | H-Bond (Protein Donor) |
OS1 | O | HOH- 2040 | 2.61 | 179.97 | H-Bond (Protein Donor) |