sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.250 Å
X-ray
2012-02-09
| Name: | Fatty-acid amide hydrolase 1 |
|---|---|
| ID: | FAAH1_RAT |
| AC: | P97612 |
| Organism: | Rattus norvegicus |
| Reign: | Eukaryota |
| TaxID: | 10116 |
| EC Number: | 3.5.1.99 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 28.912 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.670 | 691.875 |
| % Hydrophobic | % Polar |
|---|---|
| 66.83 | 33.17 |
| According to VolSite | |
| HET Code: | 0LA |
|---|---|
| Formula: | C15H11ClNO2 |
| Molecular weight: | 272.706 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 57.17 % |
| Polar Surface area: | 55.92 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 23.0792 | 48.9515 | 7.51684 |
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 |
| C1 | CD1 | LEU- 192 | 3.8 | 0 | Hydrophobic |
| CL | CB | ALA- 377 | 4.06 | 0 | Hydrophobic |
| CL | CD1 | LEU- 380 | 4.18 | 0 | Hydrophobic |
| CL | CE2 | PHE- 381 | 3.26 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 404 | 4.24 | 0 | Hydrophobic |
| C8 | CB | LEU- 404 | 4.37 | 0 | Hydrophobic |
| C8A | CD1 | LEU- 404 | 3.89 | 0 | Hydrophobic |
| C14 | CG1 | ILE- 407 | 4.01 | 0 | Hydrophobic |
| CL | CE1 | PHE- 432 | 3.83 | 0 | Hydrophobic |
| C5 | CE | MET- 436 | 3.8 | 0 | Hydrophobic |
| C8A | CB | THR- 488 | 4.24 | 0 | Hydrophobic |
| C4A | CG2 | THR- 488 | 3.5 | 0 | Hydrophobic |
| C4A | CG2 | THR- 488 | 3.5 | 0 | Hydrophobic |
| CL | CD1 | ILE- 491 | 4.5 | 0 | Hydrophobic |
| O12 | NE1 | TRP- 531 | 2.86 | 173.09 | H-Bond (Protein Donor) |
| N9 | O | HOH- 701 | 2.88 | 164.68 | H-Bond (Ligand Donor) |
