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 |
Image generated by PoseView
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 |