sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2007-07-20
| Name: | Fatty acid-binding protein 10-A, liver basic |
|---|---|
| ID: | FA10A_DANRE |
| AC: | Q9I8L5 |
| Organism: | Danio rerio |
| Reign: | Eukaryota |
| TaxID: | 7955 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 15.682 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.205 | 934.875 |
| % Hydrophobic | % Polar |
|---|---|
| 55.96 | 44.04 |
| According to VolSite | |
| HET Code: | CHD |
|---|---|
| Formula: | C24H39O5 |
| Molecular weight: | 407.563 g/mol |
| DrugBank ID: | DB02659 |
| Buried Surface Area: | 56.54 % |
| Polar Surface area: | 100.82 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: | 4 |
| X | Y | Z |
|---|---|---|
| 0.466483 | 16.1364 | 2.31052 |
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 |
| C18 | CE1 | TYR- 14 | 4.22 | 0 | Hydrophobic |
| C19 | CE2 | PHE- 17 | 3.92 | 0 | Hydrophobic |
| C6 | CE2 | PHE- 17 | 4.13 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 18 | 4.08 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 18 | 3.88 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 18 | 3.82 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 21 | 3.83 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 23 | 4.26 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 23 | 3.78 | 0 | Hydrophobic |
| C18 | CB | ALA- 31 | 4.43 | 0 | Hydrophobic |
| C20 | CB | ALA- 31 | 3.73 | 0 | Hydrophobic |
| C21 | CG1 | VAL- 34 | 3.97 | 0 | Hydrophobic |
| C21 | CG2 | THR- 53 | 4.23 | 0 | Hydrophobic |
| O25 | NZ | LYS- 56 | 3.17 | 143.53 | H-Bond (Protein Donor) |
| O26 | NZ | LYS- 56 | 2.89 | 154.02 | H-Bond (Protein Donor) |
| O25 | NZ | LYS- 56 | 3.17 | 0 | Ionic (Protein Cationic) |
| O26 | NZ | LYS- 56 | 2.89 | 0 | Ionic (Protein Cationic) |
| C17 | CB | MET- 73 | 4.27 | 0 | Hydrophobic |
| C23 | CB | MET- 73 | 3.9 | 0 | Hydrophobic |
| C16 | CB | ASP- 74 | 4.02 | 0 | Hydrophobic |
| C23 | CB | ASP- 74 | 4.46 | 0 | Hydrophobic |
| C6 | CZ | PHE- 96 | 3.89 | 0 | Hydrophobic |
| C1 | CG | LEU- 111 | 4.34 | 0 | Hydrophobic |
| C3 | CD1 | LEU- 111 | 4.12 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 111 | 4.42 | 0 | Hydrophobic |
| C1 | CE | MET- 118 | 4.22 | 0 | Hydrophobic |
| C19 | SD | MET- 118 | 3.76 | 0 | Hydrophobic |
