sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 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: | 13.974 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.951 | 388.125 |
| % Hydrophobic | % Polar |
|---|---|
| 58.26 | 41.74 |
| According to VolSite | |
| HET Code: | EGB |
|---|---|
| Formula: | C16H18N2O2S |
| Molecular weight: | 302.391 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 70.61 % |
| Polar Surface area: | 93.45 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -6.5901 | 15.3111 | 30.7333 |
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 |
| SAE | CG | GLU- 116 | 3.63 | 0 | Hydrophobic |
| NAM | O | GLU- 116 | 2.82 | 132.09 | H-Bond (Ligand Donor) |
| OAD | O | GLU- 118 | 2.63 | 155.58 | H-Bond (Ligand Donor) |
| CAJ | CG | ARG- 119 | 4.49 | 0 | Hydrophobic |
| CAR | CD | ARG- 119 | 3.34 | 0 | Hydrophobic |
| CAG | CB | TRP- 127 | 3.76 | 0 | Hydrophobic |
| CAR | CB | ASP- 130 | 4.4 | 0 | Hydrophobic |
| CAR | CB | ALA- 133 | 3.63 | 0 | Hydrophobic |
| SAE | CG2 | ILE- 136 | 3.69 | 0 | Hydrophobic |
| CAF | CB | PRO- 137 | 3.64 | 0 | Hydrophobic |
| CAH | CG | PRO- 137 | 3.78 | 0 | Hydrophobic |
| CAA | CZ | TYR- 211 | 3.53 | 0 | Hydrophobic |
| CAH | CD1 | LEU- 214 | 4.08 | 0 | Hydrophobic |
| SAE | CD2 | LEU- 214 | 4.12 | 0 | Hydrophobic |
| CAA | CG | GLU- 215 | 4.06 | 0 | Hydrophobic |
| CAB | CG | GLU- 215 | 4.28 | 0 | Hydrophobic |
| CAB | CB | ALA- 218 | 3.62 | 0 | Hydrophobic |
