sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.280 Å
X-ray
2011-04-11
| Name: | Protein BRASSINOSTEROID INSENSITIVE 1 |
|---|---|
| ID: | BRI1_ARATH |
| AC: | O22476 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 38.597 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.254 | 421.875 |
| % Hydrophobic | % Polar |
|---|---|
| 67.20 | 32.80 |
| According to VolSite | |
| HET Code: | BLD |
|---|---|
| Formula: | C28H48O6 |
| Molecular weight: | 480.677 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 54.29 % |
| Polar Surface area: | 107.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 4 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 17.4681 | -8.99774 | 30.9305 |
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 |
| C26 | CD1 | ILE- 540 | 4.49 | 0 | Hydrophobic |
| C26 | CD1 | ILE- 563 | 4.24 | 0 | Hydrophobic |
| C27 | CD1 | ILE- 563 | 4.22 | 0 | Hydrophobic |
| C18 | CH2 | TRP- 564 | 3.88 | 0 | Hydrophobic |
| C26 | CE3 | TRP- 564 | 3.89 | 0 | Hydrophobic |
| C24 | CZ3 | TRP- 564 | 4.34 | 0 | Hydrophobic |
| C16 | CE1 | TYR- 597 | 4.29 | 0 | Hydrophobic |
| C28 | CZ | TYR- 597 | 3.79 | 0 | Hydrophobic |
| C22 | CZ | TYR- 597 | 4.11 | 0 | Hydrophobic |
| C07 | CD2 | TYR- 599 | 3.74 | 0 | Hydrophobic |
| C08 | CE2 | TYR- 599 | 4.26 | 0 | Hydrophobic |
| C15 | CD2 | TYR- 599 | 3.61 | 0 | Hydrophobic |
| C16 | CB | TYR- 599 | 4.46 | 0 | Hydrophobic |
| C26 | CD2 | LEU- 615 | 4.21 | 0 | Hydrophobic |
| C28 | CD1 | LEU- 615 | 4.03 | 0 | Hydrophobic |
| C05 | CZ | TYR- 642 | 4.15 | 0 | Hydrophobic |
| C07 | CZ | TYR- 642 | 3.56 | 0 | Hydrophobic |
| C15 | CB | TYR- 642 | 4.41 | 0 | Hydrophobic |
| C28 | CG2 | THR- 646 | 4.15 | 0 | Hydrophobic |
| C25 | CG2 | THR- 646 | 4.17 | 0 | Hydrophobic |
| O23 | N | SER- 647 | 3.05 | 162.03 | H-Bond (Protein Donor) |
| C27 | CB | PRO- 648 | 4.43 | 0 | Hydrophobic |
| C27 | SD | MET- 657 | 3.7 | 0 | Hydrophobic |
| C21 | CE2 | PHE- 681 | 4.09 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 682 | 4.13 | 0 | Hydrophobic |
| C19 | CB | ASN- 705 | 4 | 0 | Hydrophobic |
| C02 | CB | ASN- 705 | 4.09 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 706 | 4.08 | 0 | Hydrophobic |
| C02 | CG2 | THR- 729 | 4.03 | 0 | Hydrophobic |
