sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2007-03-30
| Name: | Fructose-bisphosphate aldolase |
|---|---|
| ID: | ALF_PLAFA |
| AC: | P14223 |
| Organism: | Plasmodium falciparum |
| Reign: | Eukaryota |
| TaxID: | 5833 |
| EC Number: | 4.1.2.13 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| D | 100 % |
| B-Factor: | 74.466 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.115 | 651.375 |
| % Hydrophobic | % Polar |
|---|---|
| 35.23 | 64.77 |
| According to VolSite | |
| HET Code: | ASP_TRP_ASN |
|---|---|
| Formula: | C19H22N5O7 |
| Molecular weight: | 432.407 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 35.19 % |
| Polar Surface area: | 224.97 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 5 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 11 |
| X | Y | Z |
|---|---|---|
| 5.04371 | -23.8059 | -4.26539 |
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 |
| NE1 | OE2 | GLU- 40 | 3.38 | 155.85 | H-Bond (Ligand Donor) |
| CB | CD | ARG- 48 | 4.39 | 0 | Hydrophobic |
| CZ2 | CG | ARG- 48 | 4.05 | 0 | Hydrophobic |
| CD2 | CD | ARG- 48 | 3.42 | 0 | Hydrophobic |
| OD1 | NZ | LYS- 151 | 3.41 | 133.84 | H-Bond (Protein Donor) |
| O | CZ | ARG- 153 | 3.44 | 0 | Ionic (Protein Cationic) |
| CB | CB | ARG- 309 | 4.19 | 0 | Hydrophobic |
| CD2 | CB | ARG- 309 | 3.55 | 0 | Hydrophobic |
| CE3 | CG | ARG- 309 | 3.46 | 0 | Hydrophobic |
| CZ2 | CB | GLN- 312 | 3.68 | 0 | Hydrophobic |
| CZ3 | CB | ALA- 313 | 4.08 | 0 | Hydrophobic |
