sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2004-08-17
| Name: | Kinesin-like protein KIF11 |
|---|---|
| ID: | KIF11_HUMAN |
| AC: | P52732 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 14.333 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.638 | 502.875 |
| % Hydrophobic | % Polar |
|---|---|
| 53.02 | 46.98 |
| According to VolSite | |
| HET Code: | NAT |
|---|---|
| Formula: | C14H16N2O3S |
| Molecular weight: | 292.353 g/mol |
| DrugBank ID: | DB04331 |
| Buried Surface Area: | 66.93 % |
| Polar Surface area: | 102.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 17.7191 | 25.3621 | 48.7428 |
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 |
| C7 | CB | GLU- 116 | 4.49 | 0 | Hydrophobic |
| N8 | O | GLU- 116 | 2.8 | 153.74 | H-Bond (Ligand Donor) |
| O13 | O | GLU- 118 | 2.64 | 161.43 | H-Bond (Ligand Donor) |
| C16 | CG | ARG- 119 | 3.65 | 0 | Hydrophobic |
| C4 | CD | ARG- 119 | 3.25 | 0 | Hydrophobic |
| C5 | CB | TRP- 127 | 3.76 | 0 | Hydrophobic |
| C4 | CB | ASP- 130 | 4.43 | 0 | Hydrophobic |
| C4 | CB | ALA- 133 | 3.51 | 0 | Hydrophobic |
| C2 | CG | PRO- 137 | 4.07 | 0 | Hydrophobic |
| C6 | CB | PRO- 137 | 3.41 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 214 | 4.26 | 0 | Hydrophobic |
| C18 | CB | LEU- 214 | 4.15 | 0 | Hydrophobic |
| C18 | CB | ALA- 218 | 3.76 | 0 | Hydrophobic |
