2.590 Å
X-ray
2015-06-26
Name: | Tubulin tyrosine ligase |
---|---|
ID: | E1BQ43_CHICK |
AC: | E1BQ43 |
Organism: | Gallus gallus |
Reign: | Eukaryota |
TaxID: | 9031 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
F | 100 % |
B-Factor: | 87.760 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 26 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.882 | 651.375 |
% Hydrophobic | % Polar |
---|---|
50.26 | 49.74 |
According to VolSite |
HET Code: | ACP |
---|---|
Formula: | C11H14N5O12P3 |
Molecular weight: | 501.176 g/mol |
DrugBank ID: | DB03909 |
Buried Surface Area: | 59.99 % |
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 |
---|---|---|
-8.65865 | -50.7017 | 100.077 |
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 |
O1B | NZ | LYS- 74 | 3.9 | 0 | Ionic (Protein Cationic) |
O2B | NZ | LYS- 74 | 3.09 | 0 | Ionic (Protein Cationic) |
O2A | NZ | LYS- 74 | 3.5 | 0 | Ionic (Protein Cationic) |
O2B | NZ | LYS- 74 | 3.09 | 163.63 | H-Bond (Protein Donor) |
N6 | OE1 | GLN- 183 | 2.9 | 169.49 | H-Bond (Ligand Donor) |
N6 | O | LYS- 184 | 3.15 | 147.52 | H-Bond (Ligand Donor) |
N1 | N | LEU- 186 | 3.34 | 159.88 | H-Bond (Protein Donor) |
C4' | CD2 | LEU- 240 | 4.33 | 0 | Hydrophobic |
C1' | CD2 | LEU- 240 | 4.39 | 0 | Hydrophobic |
O3' | N | THR- 241 | 3.14 | 152.42 | H-Bond (Protein Donor) |
O1G | ND2 | ASN- 333 | 2.59 | 155.62 | H-Bond (Protein Donor) |