sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2006-12-22
| Name: | Fatty acid-binding protein, liver |
|---|---|
| ID: | FABPL_CHICK |
| AC: | P80226 |
| Organism: | Gallus gallus |
| Reign: | Eukaryota |
| TaxID: | 9031 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.509 | 1181.250 |
| % Hydrophobic | % Polar |
|---|---|
| 65.71 | 34.29 |
| According to VolSite | |
| HET Code: | JN3 |
|---|---|
| Formula: | C24H39O4 |
| Molecular weight: | 391.564 g/mol |
| DrugBank ID: | DB06777 |
| Buried Surface Area: | 58.91 % |
| Polar Surface area: | 80.59 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -2.29664 | 6.94546 | -5.99768 |
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 |
| C11 | CE1 | TYR- 14 | 4.3 | 0 | Hydrophobic |
| C18 | CZ | TYR- 14 | 4.11 | 0 | Hydrophobic |
| C19 | CE1 | TYR- 14 | 3.78 | 0 | Hydrophobic |
| C19 | CE1 | PHE- 17 | 4.28 | 0 | Hydrophobic |
| C5 | CE1 | PHE- 17 | 4.2 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 18 | 4.19 | 0 | Hydrophobic |
| C19 | CG | LEU- 18 | 3.6 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 18 | 3.51 | 0 | Hydrophobic |
| C6 | CG | LEU- 21 | 3.83 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 23 | 4.32 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 23 | 4.02 | 0 | Hydrophobic |
| C16 | CD2 | LEU- 27 | 3.63 | 0 | Hydrophobic |
| C23 | CD1 | LEU- 27 | 3.55 | 0 | Hydrophobic |
| C18 | CB | ALA- 31 | 3.5 | 0 | Hydrophobic |
| C23 | CB | ALA- 31 | 4.48 | 0 | Hydrophobic |
| C20 | CB | ALA- 31 | 3.78 | 0 | Hydrophobic |
| C21 | CG2 | ILE- 34 | 3.69 | 0 | Hydrophobic |
| C21 | CG2 | THR- 53 | 3.35 | 0 | Hydrophobic |
| C23 | CD | ARG- 55 | 4.46 | 0 | Hydrophobic |
| O25 | NH1 | ARG- 55 | 3.06 | 122.13 | H-Bond (Protein Donor) |
| O26 | CZ | ARG- 55 | 3.49 | 0 | Ionic (Protein Cationic) |
| C22 | CG | GLN- 56 | 4.38 | 0 | Hydrophobic |
| C11 | CE | MET- 73 | 4.25 | 0 | Hydrophobic |
| C14 | CB | MET- 73 | 4.3 | 0 | Hydrophobic |
| C21 | SD | MET- 73 | 3.78 | 0 | Hydrophobic |
| C12 | CE | MET- 73 | 4.04 | 0 | Hydrophobic |
| C17 | CB | MET- 73 | 3.28 | 0 | Hydrophobic |
| C22 | CB | MET- 73 | 3.62 | 0 | Hydrophobic |
| C15 | CB | ASP- 74 | 3.72 | 0 | Hydrophobic |
| C3 | CD1 | ILE- 111 | 3.6 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 118 | 4.06 | 0 | Hydrophobic |
