1.760 Å
X-ray
2012-01-24
Name: | Glucosamine 6-phosphate N-acetyltransferase |
---|---|
ID: | GNA1_CAEEL |
AC: | Q17427 |
Organism: | Caenorhabditis elegans |
Reign: | Eukaryota |
TaxID: | 6239 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 34.034 |
---|---|
Number of residues: | 25 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.019 | 391.500 |
% Hydrophobic | % Polar |
---|---|
48.28 | 51.72 |
According to VolSite |
HET Code: | COA |
---|---|
Formula: | C21H32N7O16P3S |
Molecular weight: | 763.502 g/mol |
DrugBank ID: | DB01992 |
Buried Surface Area: | 43.48 % |
Polar Surface area: | 426.11 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 21 |
H-Bond Donors: | 6 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 18 |
X | Y | Z |
---|---|---|
41.5672 | 23.6712 | 36.6084 |
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 |
CEP | CG1 | VAL- 106 | 3.94 | 0 | Hydrophobic |
CEP | CG2 | VAL- 108 | 4.38 | 0 | Hydrophobic |
CAP | CB | VAL- 108 | 4.26 | 0 | Hydrophobic |
CAP | CG | ARG- 113 | 4.05 | 0 | Hydrophobic |
N7A | NH1 | ARG- 114 | 3.43 | 122.32 | H-Bond (Protein Donor) |
O4A | N | ARG- 114 | 2.84 | 170.61 | H-Bond (Protein Donor) |
O1A | CZ | ARG- 114 | 3.62 | 0 | Ionic (Protein Cationic) |
O5A | N | GLY- 118 | 2.85 | 156.14 | H-Bond (Protein Donor) |
C5B | CB | ALA- 119 | 3.98 | 0 | Hydrophobic |
S1P | CG2 | VAL- 142 | 4.28 | 0 | Hydrophobic |
S1P | CB | GLU- 144 | 3.61 | 0 | Hydrophobic |
CDP | CD2 | LEU- 145 | 3.7 | 0 | Hydrophobic |
S1P | CG | LEU- 145 | 4.03 | 0 | Hydrophobic |
CCP | CZ | PHE- 148 | 3.76 | 0 | Hydrophobic |
CEP | CE2 | PHE- 148 | 4.07 | 0 | Hydrophobic |
C5B | CE1 | PHE- 148 | 3.91 | 0 | Hydrophobic |
O4B | NE2 | GLN- 151 | 3.01 | 146.49 | H-Bond (Protein Donor) |
O5A | O | HOH- 2139 | 2.6 | 135.88 | H-Bond (Protein Donor) |