sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2006-08-11
| Name: | Macrophage colony-stimulating factor 1 receptor |
|---|---|
| ID: | CSF1R_HUMAN |
| AC: | P07333 |
| 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: | 33.258 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.941 | 442.125 |
| % Hydrophobic | % Polar |
|---|---|
| 54.96 | 45.04 |
| According to VolSite | |
| HET Code: | 5CN |
|---|---|
| Formula: | C19H21N3O3 |
| Molecular weight: | 339.388 g/mol |
| DrugBank ID: | DB07167 |
| Buried Surface Area: | 70.2 % |
| Polar Surface area: | 89.5 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 5.78268 | 27.7779 | 6.43264 |
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 |
| C9 | CB | LEU- 588 | 3.86 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 588 | 4.03 | 0 | Hydrophobic |
| C1 | CB | LEU- 588 | 3.99 | 0 | Hydrophobic |
| C4 | CD2 | LEU- 588 | 4.08 | 0 | Hydrophobic |
| C10 | CG1 | VAL- 596 | 3.89 | 0 | Hydrophobic |
| C13 | CE1 | TYR- 665 | 4 | 0 | Hydrophobic |
| O1 | OH | TYR- 665 | 3.02 | 169.5 | H-Bond (Ligand Donor) |
| O2 | N | CYS- 666 | 2.93 | 165.88 | H-Bond (Protein Donor) |
| C8 | CD1 | LEU- 785 | 3.85 | 0 | Hydrophobic |
| C7 | CB | PHE- 797 | 4.1 | 0 | Hydrophobic |
| C12 | CB | PHE- 797 | 3.71 | 0 | Hydrophobic |
| C10 | CB | ALA- 800 | 4.46 | 0 | Hydrophobic |
| C12 | CB | ALA- 800 | 4.32 | 0 | Hydrophobic |
| C12 | CB | ARG- 801 | 4.26 | 0 | Hydrophobic |
