sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2008-12-18
| Name: | Biotin carboxylase |
|---|---|
| ID: | ACCC_ECOLI |
| AC: | P24182 |
| Organism: | Escherichia coli |
| Reign: | Bacteria |
| TaxID: | 83333 |
| EC Number: | 6.3.4.14 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 100 % |
| B-Factor: | 45.079 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.606 | 887.625 |
| % Hydrophobic | % Polar |
|---|---|
| 39.54 | 60.46 |
| According to VolSite | |
| HET Code: | OA3 |
|---|---|
| Formula: | C10H13N3O |
| Molecular weight: | 191.230 g/mol |
| DrugBank ID: | DB08316 |
| Buried Surface Area: | 57.94 % |
| Polar Surface area: | 68.87 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| -41.2286 | 16.9731 | 31.9665 |
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 |
| C40 | CD1 | ILE- 157 | 4.01 | 0 | Hydrophobic |
| N6 | NZ | LYS- 159 | 2.68 | 147.68 | H-Bond (Protein Donor) |
| C40 | SD | MET- 169 | 3.4 | 0 | Hydrophobic |
| N9 | N | LEU- 204 | 3.36 | 163.37 | H-Bond (Protein Donor) |
| C5 | CD1 | LEU- 278 | 4 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 278 | 3.39 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 437 | 3.78 | 0 | Hydrophobic |
