sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2001-03-24
| Name: | 1-aminocyclopropane-1-carboxylate synthase 2 |
|---|---|
| ID: | 1A12_SOLLC |
| AC: | P18485 |
| Organism: | Solanum lycopersicum |
| Reign: | Eukaryota |
| TaxID: | 4081 |
| EC Number: | 4.4.1.14 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 28.789 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.898 | 455.625 |
| % Hydrophobic | % Polar |
|---|---|
| 47.41 | 52.59 |
| According to VolSite | |
| HET Code: | AVG |
|---|---|
| Formula: | C6H15N2O3 |
| Molecular weight: | 163.195 g/mol |
| DrugBank ID: | DB02971 |
| Buried Surface Area: | 38.77 % |
| Polar Surface area: | 104.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 2 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -0.609545 | 43.3947 | 16.6022 |
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 |
| O1 | N | ALA- 54 | 3.27 | 157.45 | H-Bond (Protein Donor) |
| C5 | CZ | TYR- 152 | 4.29 | 0 | Hydrophobic |
| C3 | CE1 | TYR- 152 | 3.81 | 0 | Hydrophobic |
| C5 | CB | ALA- 154 | 3.79 | 0 | Hydrophobic |
| O1 | NH2 | ARG- 412 | 3.23 | 160.19 | H-Bond (Protein Donor) |
