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
2011-03-28
| Name: | Fatty acid binding protein 6 |
|---|---|
| ID: | F1NUJ7_CHICK |
| AC: | F1NUJ7 |
| Organism: | Gallus gallus |
| Reign: | Eukaryota |
| TaxID: | 9031 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.568 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.205 | 1238.625 |
| % Hydrophobic | % Polar |
|---|---|
| 58.58 | 41.42 |
| According to VolSite | |
| HET Code: | CHO |
|---|---|
| Formula: | C26H42NO5 |
| Molecular weight: | 448.615 g/mol |
| DrugBank ID: | DB02123 |
| Buried Surface Area: | 49.66 % |
| Polar Surface area: | 109.69 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 8.77381 | 0.205781 | 4.86559 |
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 |
| C19 | CZ | TYR- 14 | 4.02 | 0 | Hydrophobic |
| C5 | CE2 | PHE- 17 | 4.07 | 0 | Hydrophobic |
| C19 | CG1 | VAL- 18 | 3.89 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 21 | 3.82 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 23 | 4.19 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 23 | 3.97 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 23 | 3.68 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 23 | 3.63 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 23 | 3.94 | 0 | Hydrophobic |
| C18 | CB | LYS- 27 | 3.91 | 0 | Hydrophobic |
| C16 | CB | LYS- 27 | 4.01 | 0 | Hydrophobic |
| C22 | CD | LYS- 27 | 3.74 | 0 | Hydrophobic |
| O24 | NZ | LYS- 27 | 2.72 | 160.53 | H-Bond (Protein Donor) |
| OT2 | NZ | LYS- 27 | 3.25 | 122.28 | H-Bond (Protein Donor) |
| OT1 | NZ | LYS- 27 | 3.71 | 0 | Ionic (Protein Cationic) |
| OT2 | NZ | LYS- 27 | 3.25 | 0 | Ionic (Protein Cationic) |
| C21 | CG | MET- 30 | 4.39 | 0 | Hydrophobic |
| C23 | CG | MET- 30 | 3.39 | 0 | Hydrophobic |
| C21 | CZ | PHE- 53 | 3.24 | 0 | Hydrophobic |
| C23 | CE2 | PHE- 53 | 3.79 | 0 | Hydrophobic |
| C12 | SD | MET- 74 | 3.6 | 0 | Hydrophobic |
| C17 | SD | MET- 74 | 3.94 | 0 | Hydrophobic |
| C21 | SD | MET- 74 | 3.86 | 0 | Hydrophobic |
| C22 | CB | MET- 74 | 4.11 | 0 | Hydrophobic |
| C16 | CB | MET- 74 | 3.53 | 0 | Hydrophobic |
| C1 | CE2 | TYR- 119 | 3.89 | 0 | Hydrophobic |
