1.600 Å
X-ray
2006-06-12
Name: | Probable methyltransferase TARBP1 |
---|---|
ID: | TARB1_HUMAN |
AC: | Q13395 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 93 % |
B | 7 % |
B-Factor: | 16.427 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.147 | 259.875 |
% Hydrophobic | % Polar |
---|---|
27.27 | 72.73 |
According to VolSite |
HET Code: | SAH |
---|---|
Formula: | C14H20N6O5S |
Molecular weight: | 384.411 g/mol |
DrugBank ID: | DB01752 |
Buried Surface Area: | 71.78 % |
Polar Surface area: | 212.38 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
34.7556 | 41.7786 | 21.6132 |
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 |
O2' | O | VAL- 106 | 2.55 | 158.52 | H-Bond (Ligand Donor) |
N | OE2 | GLU- 107 | 3.87 | 0 | Ionic (Ligand Cationic) |
O3' | OE1 | GLU- 107 | 2.68 | 159.99 | H-Bond (Ligand Donor) |
O2' | N | GLY- 129 | 2.95 | 161.66 | H-Bond (Protein Donor) |
N6 | O | ILE- 149 | 3.01 | 165.83 | H-Bond (Ligand Donor) |
N1 | N | ILE- 149 | 2.95 | 169.51 | H-Bond (Protein Donor) |
N6 | OE1 | GLN- 151 | 2.95 | 158.64 | H-Bond (Ligand Donor) |
O | NE | ARG- 156 | 3.46 | 126.79 | H-Bond (Protein Donor) |
SD | CB | SER- 157 | 4.04 | 0 | Hydrophobic |
N7 | N | LEU- 158 | 3.03 | 148.8 | H-Bond (Protein Donor) |
C5' | CB | VAL- 160 | 4.05 | 0 | Hydrophobic |
C4' | CG2 | VAL- 160 | 3.67 | 0 | Hydrophobic |
C1' | CG2 | VAL- 160 | 4.3 | 0 | Hydrophobic |
C1' | CB | SER- 163 | 3.77 | 0 | Hydrophobic |
N | O | HOH- 470 | 2.74 | 162.58 | H-Bond (Ligand Donor) |