2.400 Å
X-ray
2015-06-29
Name: | Tubulin beta-2 chain |
---|---|
ID: | TBB2_CHICK |
AC: | P32882 |
Organism: | Gallus gallus |
Reign: | Eukaryota |
TaxID: | 9031 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 31.719 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.641 | 533.250 |
% Hydrophobic | % Polar |
---|---|
66.46 | 33.54 |
According to VolSite |
HET Code: | NZO |
---|---|
Formula: | C14H11N3O3S |
Molecular weight: | 301.320 g/mol |
DrugBank ID: | DB08313 |
Buried Surface Area: | 71.91 % |
Polar Surface area: | 112.32 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
-16.1965 | 65.3474 | -37.68 |
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 |
C14 | CB | GLN- 134 | 4.19 | 0 | Hydrophobic |
O3 | ND2 | ASN- 165 | 3.19 | 157.37 | H-Bond (Protein Donor) |
C14 | CZ | PHE- 167 | 3.98 | 0 | Hydrophobic |
N3 | OE1 | GLU- 198 | 2.7 | 136.25 | H-Bond (Ligand Donor) |
N2 | OE2 | GLU- 198 | 2.84 | 172.3 | H-Bond (Ligand Donor) |
N2 | OE1 | GLU- 198 | 2.97 | 120.51 | H-Bond (Ligand Donor) |
C14 | CG2 | THR- 237 | 3.81 | 0 | Hydrophobic |
C7 | CB | CYS- 239 | 4.05 | 0 | Hydrophobic |
C14 | CD1 | LEU- 240 | 4.44 | 0 | Hydrophobic |
S | CD2 | LEU- 246 | 3.47 | 0 | Hydrophobic |
C14 | CD2 | LEU- 250 | 4.21 | 0 | Hydrophobic |
C7 | CD1 | LEU- 253 | 4.14 | 0 | Hydrophobic |
C9 | CD1 | LEU- 253 | 3.88 | 0 | Hydrophobic |
S | CD2 | LEU- 253 | 4.49 | 0 | Hydrophobic |
C11 | CD2 | LEU- 253 | 3.83 | 0 | Hydrophobic |
C10 | CG | MET- 257 | 4.14 | 0 | Hydrophobic |
C11 | CB | ALA- 314 | 3.85 | 0 | Hydrophobic |
S | CB | ALA- 314 | 3.79 | 0 | Hydrophobic |
C11 | CD1 | ILE- 368 | 3.99 | 0 | Hydrophobic |