2.100 Å
X-ray
2012-02-27
Name: | Glutamate decarboxylase 1 |
---|---|
ID: | DCE1_HUMAN |
AC: | Q99259 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 4.1.1.15 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 76 % |
B | 24 % |
B-Factor: | 30.275 |
---|---|
Number of residues: | 22 |
Including | |
Standard Amino Acids: | 20 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.033 | 573.750 |
% Hydrophobic | % Polar |
---|---|
30.59 | 69.41 |
According to VolSite |
HET Code: | HLD |
---|---|
Formula: | C7H2O6 |
Molecular weight: | 182.087 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 63.11 % |
Polar Surface area: | 106.56 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 0 |
Rings: | 1 |
Aromatic rings: | 0 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-12.4366 | 3.62715 | 25.3407 |
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 |
OAH | NE2 | GLN- 190 | 3.03 | 125.7 | H-Bond (Protein Donor) |
OAB | NE2 | GLN- 190 | 3.28 | 154.55 | H-Bond (Protein Donor) |
OAA | N | LEU- 191 | 3.43 | 128.75 | H-Bond (Protein Donor) |
OAE | OG | SER- 192 | 2.72 | 166.5 | H-Bond (Protein Donor) |
OAB | N | SER- 192 | 3.23 | 156.63 | H-Bond (Protein Donor) |
OAC | NE2 | HIS- 291 | 3.05 | 134.92 | H-Bond (Protein Donor) |
OAD | CZ | ARG- 567 | 3.48 | 0 | Ionic (Protein Cationic) |
OAA | CZ | ARG- 567 | 3.42 | 0 | Ionic (Protein Cationic) |
OAD | NH2 | ARG- 567 | 2.78 | 139.49 | H-Bond (Protein Donor) |
OAD | NH1 | ARG- 567 | 3.39 | 122.88 | H-Bond (Protein Donor) |
OAA | NH2 | ARG- 567 | 3.26 | 131.56 | H-Bond (Protein Donor) |
OAA | NH1 | ARG- 567 | 2.7 | 164.05 | H-Bond (Protein Donor) |