1.980 Å
X-ray
2010-09-16
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: | 20.596 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 6 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.307 | 816.750 |
% Hydrophobic | % Polar |
---|---|
33.06 | 66.94 |
According to VolSite |
HET Code: | APC |
---|---|
Formula: | C11H14N5O12P3 |
Molecular weight: | 501.176 g/mol |
DrugBank ID: | DB02596 |
Buried Surface Area: | 48.52 % |
Polar Surface area: | 310.64 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
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 |
---|---|---|
12.0374 | -4.07626 | -32.6706 |
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 | HOH- 1 | 2.93 | 148.94 | H-Bond (Protein Donor) |
O1B | O | HOH- 2 | 2.88 | 179.95 | H-Bond (Protein Donor) |
O2B | N | SER- 47 | 2.9 | 165.43 | H-Bond (Protein Donor) |
O2B | OG | SER- 47 | 3.08 | 149.43 | H-Bond (Protein Donor) |
O3B | OG | SER- 47 | 3.3 | 127.92 | H-Bond (Protein Donor) |
O3' | NH1 | ARG- 50 | 2.99 | 156.58 | H-Bond (Protein Donor) |
C4' | CG2 | THR- 130 | 3.65 | 0 | Hydrophobic |
C1' | CG2 | THR- 130 | 3.74 | 0 | Hydrophobic |
O1G | NZ | LYS- 152 | 2.65 | 174.59 | H-Bond (Protein Donor) |
O1G | NZ | LYS- 152 | 2.65 | 0 | Ionic (Protein Cationic) |
O1G | OH | TYR- 161 | 3.29 | 136.59 | H-Bond (Protein Donor) |
O2G | OH | TYR- 161 | 2.69 | 147.21 | H-Bond (Protein Donor) |
C2' | CB | TYR- 173 | 3.83 | 0 | Hydrophobic |
O1G | O | HOH- 448 | 2.63 | 179.98 | H-Bond (Protein Donor) |