sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.810 Å
X-ray
2010-10-26
| Name: | Endoplasmin homolog, putative |
|---|---|
| ID: | Q8I0V4_PLAF7 |
| AC: | Q8I0V4 |
| Organism: | Plasmodium falciparum |
| Reign: | Eukaryota |
| TaxID: | 36329 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 55.104 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.202 | 496.125 |
| % Hydrophobic | % Polar |
|---|---|
| 53.74 | 46.26 |
| According to VolSite | |
| HET Code: | BC2 |
|---|---|
| Formula: | C30H42N2O8 |
| Molecular weight: | 558.663 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 51.65 % |
| Polar Surface area: | 143.24 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -0.320625 | -29.5008 | -60.1874 |
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 |
| C30 | CB | ASN- 106 | 4.27 | 0 | Hydrophobic |
| C29 | CB | ALA- 110 | 3.93 | 0 | Hydrophobic |
| C29 | CD | LYS- 113 | 3.92 | 0 | Hydrophobic |
| N34 | OD2 | ASP- 148 | 2.88 | 145.35 | H-Bond (Ligand Donor) |
| C29 | CG2 | ILE- 151 | 3.75 | 0 | Hydrophobic |
| C27 | SD | MET- 153 | 3.73 | 0 | Hydrophobic |
| C11 | CG | MET- 153 | 4.33 | 0 | Hydrophobic |
| C15 | CE | MET- 153 | 3.87 | 0 | Hydrophobic |
| C27 | CB | ASP- 157 | 3.73 | 0 | Hydrophobic |
| C27 | CB | ASN- 161 | 3.75 | 0 | Hydrophobic |
| C25 | CB | ASN- 161 | 3.58 | 0 | Hydrophobic |
| C36 | CD1 | ILE- 165 | 3.66 | 0 | Hydrophobic |
| O37 | N | PHE- 194 | 2.74 | 166.81 | H-Bond (Protein Donor) |
| C36 | CB | PHE- 194 | 3.79 | 0 | Hydrophobic |
| C35 | CD1 | PHE- 194 | 3.85 | 0 | Hydrophobic |
| C36 | CE2 | TYR- 195 | 4.2 | 0 | Hydrophobic |
| O33 | OG1 | THR- 241 | 3.08 | 161.02 | H-Bond (Protein Donor) |
| C35 | CD1 | ILE- 243 | 3.84 | 0 | Hydrophobic |
