sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.790 Å
X-ray
2010-02-23
| Name: | Insulin-like growth factor 1 receptor |
|---|---|
| ID: | IGF1R_HUMAN |
| AC: | P08069 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 36 % |
| C | 64 % |
| B-Factor: | 12.947 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.364 | 398.250 |
| % Hydrophobic | % Polar |
|---|---|
| 36.44 | 63.56 |
| According to VolSite | |
| HET Code: | CCX |
|---|---|
| Formula: | C28H29N6O |
| Molecular weight: | 465.569 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 52.5 % |
| Polar Surface area: | 112.69 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 4 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| -9.50743 | -30.1458 | -4.74857 |
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 |
| C4 | CB | ASP- 1024 | 4.36 | 0 | Hydrophobic |
| C1 | CG | LYS- 1111 | 3.83 | 0 | Hydrophobic |
| C3 | CB | LYS- 1111 | 4 | 0 | Hydrophobic |
| C10 | CB | LYS- 1111 | 4.21 | 0 | Hydrophobic |
| C2 | CD | LYS- 1111 | 3.81 | 0 | Hydrophobic |
| C6 | CD | LYS- 1111 | 4.26 | 0 | Hydrophobic |
| C14 | CB | GLN- 1114 | 3.71 | 0 | Hydrophobic |
| C3 | SD | MET- 1115 | 3.85 | 0 | Hydrophobic |
| C13 | CG | MET- 1115 | 4.13 | 0 | Hydrophobic |
| C13 | CB | PHE- 1147 | 4.27 | 0 | Hydrophobic |
| C2 | CB | PHE- 1147 | 3.81 | 0 | Hydrophobic |
| N20 | OE1 | GLU- 1271 | 3.75 | 0 | Ionic (Ligand Cationic) |
| N20 | OE2 | GLU- 1271 | 2.98 | 0 | Ionic (Ligand Cationic) |
| N20 | OE2 | GLU- 1271 | 2.98 | 145.18 | H-Bond (Ligand Donor) |
| C27 | CB | GLU- 1276 | 3.79 | 0 | Hydrophobic |
| C25 | CG1 | VAL- 1277 | 3.57 | 0 | Hydrophobic |
