2.800 Å
X-ray
2010-09-17
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 |
---|---|
B | 100 % |
B-Factor: | 86.776 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.590 | 880.875 |
% Hydrophobic | % Polar |
---|---|
36.40 | 63.60 |
According to VolSite |
HET Code: | CTP |
---|---|
Formula: | C9H12N3O14P3 |
Molecular weight: | 479.125 g/mol |
DrugBank ID: | DB02431 |
Buried Surface Area: | 44.87 % |
Polar Surface area: | 308.95 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
-34.9126 | -19.327 | 6.37734 |
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 |
O2B | N | SER- 47 | 3.13 | 129 | H-Bond (Protein Donor) |
O3' | NH2 | ARG- 50 | 2.85 | 158.32 | H-Bond (Protein Donor) |
O3' | NH1 | ARG- 50 | 3.48 | 130.18 | H-Bond (Protein Donor) |
C4' | CG2 | THR- 130 | 3.79 | 0 | Hydrophobic |
C1' | CG2 | THR- 130 | 3.89 | 0 | Hydrophobic |
O2' | ND1 | HIS- 133 | 2.9 | 151.97 | H-Bond (Ligand Donor) |
O1G | NZ | LYS- 152 | 3.96 | 0 | Ionic (Protein Cationic) |
O2G | NZ | LYS- 152 | 2.95 | 0 | Ionic (Protein Cationic) |
O2G | NZ | LYS- 152 | 2.95 | 171.55 | H-Bond (Protein Donor) |
O3B | OH | TYR- 161 | 3.23 | 130.52 | H-Bond (Protein Donor) |
O2G | OH | TYR- 161 | 2.66 | 142.75 | H-Bond (Protein Donor) |
C2' | CB | TYR- 173 | 3.67 | 0 | Hydrophobic |