2.260 Å
X-ray
2013-07-12
Name: | Pyruvate carboxylase |
---|---|
ID: | Q2K340_RHIEC |
AC: | Q2K340 |
Organism: | Rhizobium etli |
Reign: | Bacteria |
TaxID: | 347834 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 39.914 |
---|---|
Number of residues: | 18 |
Including | |
Standard Amino Acids: | 18 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.627 | 391.500 |
% Hydrophobic | % Polar |
---|---|
45.69 | 54.31 |
According to VolSite |
HET Code: | BTN |
---|---|
Formula: | C10H15N2O3S |
Molecular weight: | 243.303 g/mol |
DrugBank ID: | DB00121 |
Buried Surface Area: | 53.87 % |
Polar Surface area: | 106.55 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
-46.752 | -0.927687 | 35.8056 |
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 |
C6 | CE1 | TYR- 479 | 3.89 | 0 | Hydrophobic |
C6 | CB | ASP- 482 | 4.47 | 0 | Hydrophobic |
C6 | CB | VAL- 483 | 3.98 | 0 | Hydrophobic |
N1 | O | GLY- 487 | 3.05 | 138.18 | H-Bond (Ligand Donor) |
C8 | CE2 | TYR- 1001 | 4.15 | 0 | Hydrophobic |
C2 | CE2 | TYR- 1001 | 4.12 | 0 | Hydrophobic |