sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.650 Å
X-ray
2010-06-02
| Name: | Calcium-transporting ATPase |
|---|---|
| ID: | B6CAM1_RABIT |
| AC: | B6CAM1 |
| Organism: | Oryctolagus cuniculus |
| Reign: | Eukaryota |
| TaxID: | 9986 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 67.741 |
|---|---|
| Number of residues: | 42 |
| Including | |
| Standard Amino Acids: | 42 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.707 | 1869.750 |
| % Hydrophobic | % Polar |
|---|---|
| 68.77 | 31.23 |
| According to VolSite | |
| HET Code: | DBK |
|---|---|
| Formula: | C34H52O10 |
| Molecular weight: | 620.771 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.99 % |
| Polar Surface area: | 145.66 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 10 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 17 |
| X | Y | Z |
|---|---|---|
| -2.91702 | 12.2959 | 86.5751 |
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 |
| C44 | CD2 | LEU- 249 | 4.41 | 0 | Hydrophobic |
| C40 | CD1 | LEU- 249 | 3.34 | 0 | Hydrophobic |
| C42 | CG | LEU- 249 | 3.46 | 0 | Hydrophobic |
| C41 | CB | LEU- 253 | 3.59 | 0 | Hydrophobic |
| C44 | CD1 | LEU- 253 | 4.34 | 0 | Hydrophobic |
| C43 | CD1 | LEU- 253 | 4.02 | 0 | Hydrophobic |
| C6 | CD1 | PHE- 256 | 3.82 | 0 | Hydrophobic |
| C25 | CZ | PHE- 256 | 3.62 | 0 | Hydrophobic |
| C26 | CE1 | PHE- 256 | 3.96 | 0 | Hydrophobic |
| C31 | CE1 | PHE- 256 | 4.18 | 0 | Hydrophobic |
| C37 | CB | PHE- 256 | 3.45 | 0 | Hydrophobic |
| C35 | CD1 | PHE- 256 | 3.35 | 0 | Hydrophobic |
| C26 | CB | GLN- 259 | 3.3 | 0 | Hydrophobic |
| C25 | CD2 | LEU- 260 | 4.13 | 0 | Hydrophobic |
| C26 | CB | LEU- 260 | 3.98 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 263 | 4.27 | 0 | Hydrophobic |
| C42 | CD1 | ILE- 315 | 3.8 | 0 | Hydrophobic |
| C36 | CG2 | ILE- 761 | 4.31 | 0 | Hydrophobic |
| C40 | CD1 | ILE- 761 | 4.08 | 0 | Hydrophobic |
| C31 | CG2 | ILE- 765 | 3.78 | 0 | Hydrophobic |
| C36 | CD1 | ILE- 765 | 4.21 | 0 | Hydrophobic |
| C31 | CG2 | VAL- 769 | 4.47 | 0 | Hydrophobic |
| C33 | CG2 | VAL- 769 | 4.41 | 0 | Hydrophobic |
| C23 | CG1 | VAL- 772 | 3.32 | 0 | Hydrophobic |
| C28 | CB | LEU- 828 | 3.62 | 0 | Hydrophobic |
| C39 | CD1 | LEU- 828 | 3.82 | 0 | Hydrophobic |
| C36 | CD1 | LEU- 828 | 3.61 | 0 | Hydrophobic |
| O8 | N | ILE- 829 | 3.08 | 121.49 | H-Bond (Protein Donor) |
| C28 | CD1 | ILE- 829 | 4.2 | 0 | Hydrophobic |
| C9 | CB | ILE- 829 | 3.93 | 0 | Hydrophobic |
| C33 | CD1 | PHE- 834 | 3.62 | 0 | Hydrophobic |
| C1 | CE1 | PHE- 834 | 3.71 | 0 | Hydrophobic |
| C10 | CE1 | PHE- 834 | 3.54 | 0 | Hydrophobic |
| C33 | CB | TYR- 837 | 3.46 | 0 | Hydrophobic |
