sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.500 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: | 9.493 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.528 | 1258.875 |
| % Hydrophobic | % Polar |
|---|---|
| 58.98 | 41.02 |
| According to VolSite | |
| HET Code: | CHD |
|---|---|
| Formula: | C24H39O5 |
| Molecular weight: | 407.563 g/mol |
| DrugBank ID: | DB02659 |
| Buried Surface Area: | 48.66 % |
| 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 |
|---|---|---|
| -1.93107 | 5.34945 | 21.6864 |
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 | 4.48 | 0 | Hydrophobic |
| C18 | CE1 | TYR- 14 | 4.2 | 0 | Hydrophobic |
| C19 | CE2 | PHE- 17 | 4.05 | 0 | Hydrophobic |
| C6 | CE2 | PHE- 17 | 4.08 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 18 | 4.35 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 18 | 3.76 | 0 | Hydrophobic |
| C19 | CD2 | LEU- 18 | 4.06 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 21 | 4.19 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 23 | 4.2 | 0 | Hydrophobic |
| C16 | CD2 | LEU- 23 | 4.41 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 23 | 4.47 | 0 | Hydrophobic |
| C23 | CG1 | VAL- 27 | 4.17 | 0 | Hydrophobic |
| C18 | CB | ALA- 31 | 4.03 | 0 | Hydrophobic |
| C23 | CB | ALA- 31 | 4.36 | 0 | Hydrophobic |
| C20 | CB | ALA- 31 | 3.95 | 0 | Hydrophobic |
| C21 | CG1 | VAL- 34 | 4.06 | 0 | Hydrophobic |
| C21 | CG2 | THR- 53 | 4.4 | 0 | Hydrophobic |
| C22 | CD | LYS- 56 | 3.92 | 0 | Hydrophobic |
| C12 | SD | MET- 73 | 4.35 | 0 | Hydrophobic |
| C14 | CB | MET- 73 | 4.34 | 0 | Hydrophobic |
| C16 | CB | MET- 73 | 4.28 | 0 | Hydrophobic |
| C22 | SD | MET- 73 | 4.06 | 0 | Hydrophobic |
| C21 | SD | MET- 73 | 3.85 | 0 | Hydrophobic |
| C16 | CB | ASP- 74 | 4.01 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 111 | 4.24 | 0 | Hydrophobic |
| C5 | CD2 | LEU- 111 | 3.93 | 0 | Hydrophobic |
| C19 | SD | MET- 118 | 3.89 | 0 | Hydrophobic |
| C1 | CD | ARG- 120 | 4.27 | 0 | Hydrophobic |
| O12 | O | HOH- 137 | 2.8 | 179.94 | H-Bond (Protein Donor) |
