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
2011-07-07
| 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: | 10.000 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.392 | 1350.000 |
| % Hydrophobic | % Polar |
|---|---|
| 61.00 | 39.00 |
| According to VolSite | |
| HET Code: | GCH |
|---|---|
| Formula: | C26H42NO6 |
| Molecular weight: | 464.615 g/mol |
| DrugBank ID: | DB02691 |
| Buried Surface Area: | 56.88 % |
| Polar Surface area: | 129.92 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 4 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 0.00636364 | 5.25385 | -0.0544242 |
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 |
| C20 | CD2 | LEU- 21 | 4.3 | 0 | Hydrophobic |
| C | CG2 | VAL- 49 | 4.3 | 0 | Hydrophobic |
| C1 | CG1 | VAL- 49 | 3.66 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 49 | 4.08 | 0 | Hydrophobic |
| C7 | CB | ASN- 60 | 3.51 | 0 | Hydrophobic |
| C6 | CE2 | PHE- 62 | 4.46 | 0 | Hydrophobic |
| C7 | CE2 | PHE- 62 | 3.75 | 0 | Hydrophobic |
| C15 | CD1 | ILE- 70 | 3.74 | 0 | Hydrophobic |
| C23 | CD1 | ILE- 70 | 3.75 | 0 | Hydrophobic |
| C20 | CB | THR- 72 | 3.98 | 0 | Hydrophobic |
| C16 | CB | THR- 72 | 3.29 | 0 | Hydrophobic |
| O5 | NZ | LYS- 76 | 3.32 | 147.61 | H-Bond (Protein Donor) |
| O5 | NZ | LYS- 76 | 3.32 | 0 | Ionic (Protein Cationic) |
| C16 | CD1 | LEU- 78 | 4.48 | 0 | Hydrophobic |
| C21 | CD1 | LEU- 78 | 3.4 | 0 | Hydrophobic |
| C6 | SG | CYS- 80 | 3.8 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 82 | 4.44 | 0 | Hydrophobic |
| C4 | CB | CYS- 91 | 4.43 | 0 | Hydrophobic |
| C6 | SG | CYS- 91 | 4.1 | 0 | Hydrophobic |
| C11 | CB | HIS- 98 | 4.31 | 0 | Hydrophobic |
| O | NE2 | GLN- 100 | 2.87 | 135.49 | H-Bond (Protein Donor) |
| C5 | CG | GLN- 100 | 4.29 | 0 | Hydrophobic |
| C21 | CD2 | PHE- 113 | 3.73 | 0 | Hydrophobic |
| C19 | CZ | PHE- 113 | 3.41 | 0 | Hydrophobic |
