sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2010-08-16
| Name: | Coronatine-insensitive protein 1 |
|---|---|
| ID: | COI1_ARATH |
| AC: | O04197 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| F | 93 % |
| S | 7 % |
| B-Factor: | 49.705 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.085 | 847.125 |
| % Hydrophobic | % Polar |
|---|---|
| 43.82 | 56.18 |
| According to VolSite | |
| HET Code: | OGK |
|---|---|
| Formula: | C18H26NO4 |
| Molecular weight: | 320.403 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 67.65 % |
| Polar Surface area: | 86.3 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -40.1577 | 18.8945 | 60.3307 |
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 |
| C01 | CB | ALA- 86 | 3.88 | 0 | Hydrophobic |
| C05 | CZ | PHE- 89 | 3.45 | 0 | Hydrophobic |
| C17 | CE1 | PHE- 89 | 3.5 | 0 | Hydrophobic |
| C22 | CD1 | PHE- 89 | 3.73 | 0 | Hydrophobic |
| C23 | CG | PHE- 89 | 4.36 | 0 | Hydrophobic |
| C04 | CD2 | PHE- 89 | 3.37 | 0 | Hydrophobic |
| C01 | CD1 | LEU- 91 | 3.8 | 0 | Hydrophobic |
| C03 | CD1 | LEU- 91 | 4.38 | 0 | Hydrophobic |
| O11 | CZ | ARG- 348 | 3.8 | 0 | Ionic (Protein Cationic) |
| O12 | CZ | ARG- 348 | 3.55 | 0 | Ionic (Protein Cationic) |
| O11 | NH2 | ARG- 348 | 2.64 | 128.48 | H-Bond (Protein Donor) |
| O12 | NH1 | ARG- 348 | 3.23 | 141.64 | H-Bond (Protein Donor) |
| O12 | NH2 | ARG- 348 | 2.99 | 156.47 | H-Bond (Protein Donor) |
| C16 | CB | ALA- 384 | 4.05 | 0 | Hydrophobic |
| N08 | OH | TYR- 386 | 3.21 | 146.85 | H-Bond (Ligand Donor) |
| C15 | CE1 | TYR- 386 | 3.21 | 0 | Hydrophobic |
| O12 | NH1 | ARG- 409 | 2.99 | 147.57 | H-Bond (Protein Donor) |
| C13 | CD | ARG- 409 | 3.88 | 0 | Hydrophobic |
| C16 | CB | ARG- 409 | 4.18 | 0 | Hydrophobic |
| C18 | CG2 | VAL- 411 | 4.44 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 411 | 3.46 | 0 | Hydrophobic |
| C13 | CB | ALA- 442 | 4.47 | 0 | Hydrophobic |
| C18 | CE1 | TYR- 444 | 4.12 | 0 | Hydrophobic |
| C19 | CZ | TYR- 444 | 3.75 | 0 | Hydrophobic |
| C23 | CE1 | TYR- 444 | 4.4 | 0 | Hydrophobic |
| C02 | CD1 | LEU- 469 | 4.06 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 469 | 4.3 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 469 | 4.44 | 0 | Hydrophobic |
| C05 | CD2 | LEU- 469 | 3.68 | 0 | Hydrophobic |
| C23 | CD | ARG- 496 | 3.8 | 0 | Hydrophobic |
| C01 | CD | ARG- 496 | 3.85 | 0 | Hydrophobic |
| C01 | CE2 | TRP- 519 | 3.77 | 0 | Hydrophobic |
