2.500 Å
X-ray
2010-01-10
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: | 16.784 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.945 | 887.625 |
% Hydrophobic | % Polar |
---|---|
44.49 | 55.51 |
According to VolSite |
HET Code: | BDY |
---|---|
Formula: | C27H31Cl2N6O |
Molecular weight: | 526.481 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 43.74 % |
Polar Surface area: | 88.58 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 3 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
-24.6285 | 0.224306 | -18.8644 |
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 |
CL12 | CB | LEU- 588 | 3.99 | 0 | Hydrophobic |
C19 | CB | LEU- 588 | 4.4 | 0 | Hydrophobic |
C22 | CD2 | LEU- 588 | 3.78 | 0 | Hydrophobic |
C23 | CD2 | LEU- 588 | 3.48 | 0 | Hydrophobic |
C9 | CG1 | VAL- 596 | 3.67 | 0 | Hydrophobic |
N1 | O | GLU- 664 | 3 | 168.62 | H-Bond (Ligand Donor) |
N3 | N | CYS- 666 | 3.01 | 178 | H-Bond (Protein Donor) |
CL17 | CD2 | LEU- 785 | 3.67 | 0 | Hydrophobic |
C16 | CD2 | LEU- 785 | 3.77 | 0 | Hydrophobic |
C15 | CD1 | LEU- 785 | 3.68 | 0 | Hydrophobic |
C15 | CB | ASP- 796 | 4.19 | 0 | Hydrophobic |
CL17 | CB | ASP- 796 | 4.23 | 0 | Hydrophobic |