sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2011-07-11
| Name: | Methylketone synthase I |
|---|---|
| ID: | E0YCS2_SOLHA |
| AC: | E0YCS2 |
| Organism: | Lycopersicon hirsutum f. glabratum |
| Reign: | Eukaryota |
| TaxID: | 283673 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 25.439 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.643 | 1093.500 |
| % Hydrophobic | % Polar |
|---|---|
| 59.26 | 40.74 |
| According to VolSite | |
| HET Code: | BKA |
|---|---|
| Formula: | C7H11O3 |
| Molecular weight: | 143.160 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 42.96 % |
| Polar Surface area: | 57.2 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 18.3961 | -5.7936 | 0.7141 |
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 | OG1 | THR- 18 | 2.65 | 162.44 | H-Bond (Protein Donor) |
| C5 | CB | ALA- 19 | 3.83 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 88 | 3.82 | 0 | Hydrophobic |
| C4 | CB | ALA- 128 | 3.75 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 132 | 3.49 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 132 | 3.88 | 0 | Hydrophobic |
| C7 | CD2 | LEU- 183 | 4.25 | 0 | Hydrophobic |
