2.020 Å
X-ray
2007-11-16
| 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: | 22.735 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.543 | 334.125 |
| % Hydrophobic | % Polar |
|---|---|
| 54.55 | 45.45 |
| According to VolSite | |

| HET Code: | IXH |
|---|---|
| Formula: | C29H32N7O2 |
| Molecular weight: | 510.610 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 54.8 % |
| Polar Surface area: | 121.06 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 6 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 5.04061 | 28.7956 | 6.1385 |
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 | 4.35 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 588 | 4.28 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 588 | 4.24 | 0 | Hydrophobic |
| C20 | CB | LEU- 588 | 3.72 | 0 | Hydrophobic |
| C20 | CB | VAL- 596 | 4.17 | 0 | Hydrophobic |
| C15 | CB | ALA- 614 | 3.72 | 0 | Hydrophobic |
| O2 | NZ | LYS- 616 | 2.68 | 122.96 | H-Bond (Protein Donor) |
| N7 | OG1 | THR- 663 | 3.46 | 140.57 | H-Bond (Ligand Donor) |
| O1 | OG1 | THR- 663 | 2.54 | 151.17 | H-Bond (Protein Donor) |
| N2 | N | CYS- 666 | 2.84 | 165.97 | H-Bond (Protein Donor) |
| N5 | O | CYS- 666 | 2.88 | 138.84 | H-Bond (Ligand Donor) |
| C15 | CD2 | LEU- 785 | 3.65 | 0 | Hydrophobic |
| C27 | CD2 | LEU- 785 | 4.35 | 0 | Hydrophobic |
| C27 | CB | PHE- 797 | 4.16 | 0 | Hydrophobic |
| C20 | CB | ALA- 800 | 3.53 | 0 | Hydrophobic |