sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.250 Å
X-ray
2004-01-09
| Name: | Kinesin-like protein KIF2C |
|---|---|
| ID: | KIF2C_MOUSE |
| AC: | Q922S8 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 46.063 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | MG |
| Ligandability | Volume (Å3) |
|---|---|
| 0.526 | 391.500 |
| % Hydrophobic | % Polar |
|---|---|
| 47.41 | 52.59 |
| According to VolSite | |
| HET Code: | ANP |
|---|---|
| Formula: | C10H13N6O12P3 |
| Molecular weight: | 502.164 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 57.37 % |
| Polar Surface area: | 322.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 16 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 4 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| -38.9839 | 82.0904 | -18.7139 |
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 |
| O1G | N | GLY- 165 | 3.4 | 126.69 | H-Bond (Protein Donor) |
| O2B | N | GLY- 167 | 2.52 | 162.56 | H-Bond (Protein Donor) |
| O3G | NZ | LYS- 168 | 3 | 150.9 | H-Bond (Protein Donor) |
| O2B | NZ | LYS- 168 | 3.46 | 149.46 | H-Bond (Protein Donor) |
| O2B | N | LYS- 168 | 2.91 | 149.55 | H-Bond (Protein Donor) |
| O3G | NZ | LYS- 168 | 3 | 0 | Ionic (Protein Cationic) |
| O2B | NZ | LYS- 168 | 3.46 | 0 | Ionic (Protein Cationic) |
| O1B | N | THR- 169 | 2.89 | 165.13 | H-Bond (Protein Donor) |
| O2A | N | HIS- 170 | 2.77 | 151.58 | H-Bond (Protein Donor) |
| C2' | CB | HIS- 170 | 4.19 | 0 | Hydrophobic |
| DuAr | DuAr | HIS- 170 | 3.86 | 0 | Aromatic Face/Face |
| O2G | MG | MG- 501 | 2.25 | 0 | Metal Acceptor |
| O1B | MG | MG- 501 | 2.12 | 0 | Metal Acceptor |
