sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2008-06-25
| Name: | Ephrin type-A receptor 7 |
|---|---|
| ID: | EPHA7_HUMAN |
| AC: | Q15375 |
| 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: | 43.765 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.261 | 357.750 |
| % Hydrophobic | % Polar |
|---|---|
| 71.70 | 28.30 |
| According to VolSite | |
| HET Code: | IHZ |
|---|---|
| Formula: | C21H17F3N4O2 |
| Molecular weight: | 414.380 g/mol |
| DrugBank ID: | DB07970 |
| Buried Surface Area: | 65.48 % |
| Polar Surface area: | 97.1 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -19.3082 | 9.66937 | -10.6981 |
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 |
| CBA | CD1 | ILE- 639 | 4.2 | 0 | Hydrophobic |
| CAA | CG1 | VAL- 647 | 3.28 | 0 | Hydrophobic |
| CAA | CB | ALA- 663 | 4.24 | 0 | Hydrophobic |
| CAY | CB | ALA- 663 | 3.62 | 0 | Hydrophobic |
| CAJ | CD | LYS- 665 | 3.86 | 0 | Hydrophobic |
| NAS | OE2 | GLU- 682 | 2.75 | 158.49 | H-Bond (Ligand Donor) |
| CAI | CG | GLU- 682 | 3.59 | 0 | Hydrophobic |
| FAF | CG2 | ILE- 685 | 4.46 | 0 | Hydrophobic |
| CAK | CG2 | ILE- 685 | 4.1 | 0 | Hydrophobic |
| FAE | CG | MET- 686 | 4.03 | 0 | Hydrophobic |
| CAP | CG | MET- 686 | 3.62 | 0 | Hydrophobic |
| FAE | CD2 | PHE- 689 | 4.11 | 0 | Hydrophobic |
| FAF | CE2 | PHE- 689 | 3.6 | 0 | Hydrophobic |
| FAE | CG1 | VAL- 694 | 3.74 | 0 | Hydrophobic |
| FAE | CG1 | VAL- 695 | 4.15 | 0 | Hydrophobic |
| CAP | CG1 | VAL- 695 | 4.27 | 0 | Hydrophobic |
| CAQ | CG1 | VAL- 695 | 4.46 | 0 | Hydrophobic |
| CBC | CD1 | ILE- 711 | 3.74 | 0 | Hydrophobic |
| NAR | N | MET- 714 | 3.02 | 148.27 | H-Bond (Protein Donor) |
| FAF | CE2 | TYR- 754 | 3.68 | 0 | Hydrophobic |
| CBA | CD2 | LEU- 765 | 4.06 | 0 | Hydrophobic |
| CAQ | CD1 | LEU- 765 | 3.94 | 0 | Hydrophobic |
| CAY | CD1 | LEU- 765 | 3.39 | 0 | Hydrophobic |
| FAG | CG1 | VAL- 774 | 3.79 | 0 | Hydrophobic |
| FAG | CB | ASP- 776 | 4.43 | 0 | Hydrophobic |
| CAH | CB | ASP- 776 | 3.64 | 0 | Hydrophobic |
| OAD | N | ASP- 776 | 2.9 | 153.11 | H-Bond (Protein Donor) |
| CAA | CE1 | PHE- 777 | 4.48 | 0 | Hydrophobic |
