sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.900 Å
X-ray
2008-11-04
| 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 |
|---|---|
| T | 100 % |
| B-Factor: | 36.657 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.476 | 803.250 |
| % Hydrophobic | % Polar |
|---|---|
| 55.88 | 44.12 |
| According to VolSite | |
| HET Code: | 741 |
|---|---|
| Formula: | C27H30ClN6O3S |
| Molecular weight: | 554.083 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 48.2 % |
| Polar Surface area: | 134.96 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 12 |
| X | Y | Z |
|---|---|---|
| -67.1086 | 130.449 | 143.838 |
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 |
| C1 | CB | LEU- 1005 | 3.79 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 1005 | 4.34 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 1005 | 4.2 | 0 | Hydrophobic |
| C16 | CB | LEU- 1005 | 4.19 | 0 | Hydrophobic |
| C2 | CD1 | LEU- 1005 | 3.71 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 1013 | 4.12 | 0 | Hydrophobic |
| C18 | CG2 | VAL- 1013 | 4.14 | 0 | Hydrophobic |
| C23 | CG1 | VAL- 1013 | 3.88 | 0 | Hydrophobic |
| C23 | CB | ALA- 1031 | 3.82 | 0 | Hydrophobic |
| CL24 | CB | ALA- 1031 | 4.43 | 0 | Hydrophobic |
| C9 | CB | ALA- 1031 | 3.95 | 0 | Hydrophobic |
| S25 | CD | LYS- 1033 | 3.69 | 0 | Hydrophobic |
| C21 | CD | LYS- 1033 | 3.87 | 0 | Hydrophobic |
| CL24 | CB | LYS- 1033 | 3.45 | 0 | Hydrophobic |
| N27 | NZ | LYS- 1033 | 3.24 | 165.38 | H-Bond (Protein Donor) |
| C31 | CE | MET- 1054 | 3.29 | 0 | Hydrophobic |
| S25 | CG1 | VAL- 1077 | 4.07 | 0 | Hydrophobic |
| C31 | CG1 | VAL- 1077 | 4.41 | 0 | Hydrophobic |
| C23 | CB | MET- 1079 | 4.35 | 0 | Hydrophobic |
| CL24 | CG | MET- 1079 | 3.43 | 0 | Hydrophobic |
| C31 | SD | MET- 1079 | 3.76 | 0 | Hydrophobic |
| C22 | CG | MET- 1079 | 3.65 | 0 | Hydrophobic |
| C3 | CD2 | LEU- 1081 | 4.03 | 0 | Hydrophobic |
| N7 | N | MET- 1082 | 3.03 | 156.39 | H-Bond (Protein Donor) |
| C3 | CE | MET- 1142 | 3.98 | 0 | Hydrophobic |
| C5 | CE | MET- 1142 | 3.56 | 0 | Hydrophobic |
| C5 | CE | MET- 1142 | 3.56 | 0 | Hydrophobic |
