1.990 Å
X-ray
2005-05-26
Name: | RIO-type serine/threonine-protein kinase Rio1 |
---|---|
ID: | RIO1_ARCFU |
AC: | O28471 |
Organism: | Archaeoglobus fulgidus |
Reign: | Archaea |
TaxID: | 224325 |
EC Number: | 2.7.11.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 31.760 |
---|---|
Number of residues: | 23 |
Including | |
Standard Amino Acids: | 22 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.153 | 617.625 |
% Hydrophobic | % Polar |
---|---|
51.91 | 48.09 |
According to VolSite |
HET Code: | XYA |
---|---|
Formula: | C10H13N5O4 |
Molecular weight: | 267.241 g/mol |
DrugBank ID: | DB03528 |
Buried Surface Area: | 55.87 % |
Polar Surface area: | 139.54 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
34.1908 | 21.5375 | 8.43789 |
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 |
C1' | CG2 | ILE- 55 | 3.46 | 0 | Hydrophobic |
C4' | CB | SER- 56 | 3.59 | 0 | Hydrophobic |
N6 | O | GLU- 148 | 2.97 | 149.86 | H-Bond (Ligand Donor) |
N1 | N | ILE- 150 | 2.74 | 171.09 | H-Bond (Protein Donor) |
C2' | CE | MET- 203 | 3.63 | 0 | Hydrophobic |
C5' | CD1 | ILE- 211 | 3.55 | 0 | Hydrophobic |
C3' | CD1 | ILE- 211 | 4.22 | 0 | Hydrophobic |