sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2010-02-26
| 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 |
|---|---|
| A | 100 % |
| B-Factor: | 15.436 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.633 | 367.875 |
| % Hydrophobic | % Polar |
|---|---|
| 55.05 | 44.95 |
| According to VolSite | |
| HET Code: | X7E |
|---|---|
| Formula: | C19H18F2N2O2S |
| Molecular weight: | 376.420 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 71.09 % |
| Polar Surface area: | 87.82 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -40.4033 | -15.4032 | -29.5743 |
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 |
| CAY | CB | GLU- 116 | 3.98 | 0 | Hydrophobic |
| CAN | CG | GLU- 116 | 3.91 | 0 | Hydrophobic |
| CAJ | CG | GLU- 116 | 3.79 | 0 | Hydrophobic |
| CAU | CG | GLU- 116 | 3.56 | 0 | Hydrophobic |
| NAO | O | GLY- 117 | 2.53 | 153.45 | H-Bond (Ligand Donor) |
| OAD | O | GLU- 118 | 2.58 | 167.99 | H-Bond (Ligand Donor) |
| CAB | CG | ARG- 119 | 4.27 | 0 | Hydrophobic |
| CAM | CD | ARG- 119 | 3.68 | 0 | Hydrophobic |
| CAT | CD | ARG- 119 | 3.43 | 0 | Hydrophobic |
| CAI | CB | TRP- 127 | 3.93 | 0 | Hydrophobic |
| CAT | CB | ALA- 133 | 3.79 | 0 | Hydrophobic |
| CAN | CG2 | ILE- 136 | 4.39 | 0 | Hydrophobic |
| CAH | CB | PRO- 137 | 3.4 | 0 | Hydrophobic |
| CAK | CG | PRO- 137 | 3.6 | 0 | Hydrophobic |
| FAG | CD2 | LEU- 160 | 3.44 | 0 | Hydrophobic |
| CAA | CE2 | TYR- 211 | 4.36 | 0 | Hydrophobic |
| FAG | CD2 | LEU- 214 | 4.25 | 0 | Hydrophobic |
| CAA | CB | LEU- 214 | 3.63 | 0 | Hydrophobic |
| CAN | CB | LEU- 214 | 3.73 | 0 | Hydrophobic |
| CAN | CB | LEU- 214 | 3.73 | 0 | Hydrophobic |
| CAK | CD1 | LEU- 214 | 4.32 | 0 | Hydrophobic |
| CAA | CB | ALA- 218 | 4.5 | 0 | Hydrophobic |
| CAL | CB | ALA- 218 | 3.93 | 0 | Hydrophobic |
| FAF | CG | ARG- 221 | 4.12 | 0 | Hydrophobic |
| FAG | CE2 | PHE- 239 | 3.52 | 0 | Hydrophobic |
