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
2007-02-05
| Name: | Angiopoietin-1 receptor |
|---|---|
| ID: | TIE2_HUMAN |
| AC: | Q02763 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 71.309 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.885 | 536.625 |
| % Hydrophobic | % Polar |
|---|---|
| 61.01 | 38.99 |
| According to VolSite | |
| HET Code: | MUH |
|---|---|
| Formula: | C24H18F3N5O |
| Molecular weight: | 449.428 g/mol |
| DrugBank ID: | DB08221 |
| Buried Surface Area: | 65.96 % |
| Polar Surface area: | 79.8 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 53.8532 | 0.780848 | 72.7939 |
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 |
| C15 | CG1 | VAL- 838 | 4.01 | 0 | Hydrophobic |
| C23 | CG2 | VAL- 838 | 4.06 | 0 | Hydrophobic |
| C21 | CG1 | VAL- 838 | 4.33 | 0 | Hydrophobic |
| C15 | CB | LYS- 855 | 3.56 | 0 | Hydrophobic |
| C16 | CG | GLU- 872 | 3.86 | 0 | Hydrophobic |
| C20 | CG1 | VAL- 875 | 3.99 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 876 | 4.16 | 0 | Hydrophobic |
| C17 | CD2 | LEU- 876 | 3.61 | 0 | Hydrophobic |
| F3 | CD2 | LEU- 879 | 3.76 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 879 | 3.95 | 0 | Hydrophobic |
| F1 | CD1 | LEU- 879 | 3.39 | 0 | Hydrophobic |
| C18 | CG1 | ILE- 886 | 3.91 | 0 | Hydrophobic |
| F1 | CG1 | ILE- 886 | 3.8 | 0 | Hydrophobic |
| C13 | CB | LEU- 900 | 4.45 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 900 | 4.2 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 902 | 3.59 | 0 | Hydrophobic |
| C14 | CG2 | ILE- 902 | 4.1 | 0 | Hydrophobic |
| N1 | N | ALA- 905 | 2.98 | 146.98 | H-Bond (Protein Donor) |
| F3 | CD1 | LEU- 955 | 3.96 | 0 | Hydrophobic |
| C7 | CZ | PHE- 960 | 4.06 | 0 | Hydrophobic |
| F3 | CE1 | PHE- 960 | 3.9 | 0 | Hydrophobic |
| F2 | CE2 | PHE- 960 | 4.25 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 971 | 4.39 | 0 | Hydrophobic |
| F2 | CG2 | ILE- 980 | 3.54 | 0 | Hydrophobic |
| F2 | CB | ASP- 982 | 4.01 | 0 | Hydrophobic |
| C18 | CB | ASP- 982 | 3.76 | 0 | Hydrophobic |
| O1 | N | ASP- 982 | 2.75 | 153.89 | H-Bond (Protein Donor) |
