2.500 Å
X-ray
2006-06-08
Name: | CCA-adding enzyme |
---|---|
ID: | CCA_ARCFU |
AC: | O28126 |
Organism: | Archaeoglobus fulgidus |
Reign: | Archaea |
TaxID: | 224325 |
EC Number: | 2.7.7.72 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 23.903 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 4 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.155 | 739.125 |
% Hydrophobic | % Polar |
---|---|
31.96 | 68.04 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 46.49 % |
Polar Surface area: | 319.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
16.9981 | -25.2588 | -32.666 |
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 |
O1G | OG | SER- 47 | 2.71 | 156.9 | H-Bond (Protein Donor) |
O2B | N | SER- 47 | 3.11 | 168.38 | H-Bond (Protein Donor) |
O3' | NH1 | ARG- 50 | 3.46 | 148.32 | H-Bond (Protein Donor) |
O3' | NH2 | ARG- 50 | 3.33 | 156.04 | H-Bond (Protein Donor) |
C4' | CG2 | THR- 130 | 3.94 | 0 | Hydrophobic |
C1' | CG2 | THR- 130 | 4.01 | 0 | Hydrophobic |
O2' | ND1 | HIS- 133 | 2.89 | 168.12 | H-Bond (Ligand Donor) |
O1G | NZ | LYS- 152 | 2.8 | 151.54 | H-Bond (Protein Donor) |
O1G | NZ | LYS- 152 | 2.8 | 0 | Ionic (Protein Cationic) |
O1G | OH | TYR- 161 | 3.32 | 133.7 | H-Bond (Protein Donor) |
O2G | OH | TYR- 161 | 2.87 | 148.65 | H-Bond (Protein Donor) |
C2' | CB | TYR- 173 | 3.94 | 0 | Hydrophobic |
O1B | O | HOH- 505 | 2.89 | 157.97 | H-Bond (Protein Donor) |
O1G | O | HOH- 515 | 2.86 | 160.17 | H-Bond (Protein Donor) |