Fluorine in PDB 6n33: Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622

All present enzymatic activity of Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622:
2.7.10.1;

The structure of Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622, PDB code: 6n33 was solved by Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.23 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.620, 62.620, 182.369, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22

The binding sites of Fluorine atom in the Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622 (pdb code 6n33). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622, PDB code: 6n33:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:65.8 occ:1.00 F1 A:6221001 0.0 65.8 1.0 C18 A:6221001 1.3 67.8 1.0 C17 A:6221001 2.4 75.0 1.0 C19 A:6221001 2.4 64.4 1.0 CG A:GLU633 3.3 43.8 1.0 N5 A:6221001 3.6 76.9 1.0 C15 A:6221001 3.7 63.0 1.0 CB A:GLU633 3.7 37.4 1.0 CD A:GLU633 3.8 50.8 1.0 CA A:GLU633 4.0 38.5 1.0 OE2 A:GLU633 4.1 49.2 1.0 C16 A:6221001 4.1 68.0 1.0 O A:GLU633 4.3 37.2 1.0 CG A:MET637 4.4 32.9 1.0 O A:HOH1215 4.5 47.3 1.0 OE1 A:GLU633 4.6 54.4 1.0 C A:GLU633 4.6 36.6 1.0 CB A:ILE636 4.9 39.6 1.0 C14 A:6221001 4.9 56.8 1.0 CG2 A:ILE636 5.0 36.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Fms Kinase Domain with A Small Molecular Inhibitor, PLX5622 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:39.4 occ:1.00 F2 A:6221001 0.0 39.4 1.0 C10 A:6221001 1.3 38.7 1.0 N3 A:6221001 2.3 34.1 1.0 C9 A:6221001 2.3 39.6 1.0 C8 A:6221001 2.8 40.9 1.0 CD2 A:LEU785 3.3 32.0 1.0 N A:ASP796 3.5 32.7 1.0 C6 A:6221001 3.5 40.1 1.0 C11 A:6221001 3.5 38.9 1.0 C13 A:6221001 3.6 35.7 1.0 C A:ASP796 3.9 29.6 1.0 CA A:GLY795 3.9 27.0 1.0 C7 A:6221001 3.9 30.4 1.0 C12 A:6221001 4.0 38.2 1.0 N A:PHE797 4.0 26.8 1.0 CG A:LEU785 4.0 33.8 1.0 CG2 A:VAL647 4.1 24.6 1.0 C A:GLY795 4.1 28.4 1.0 CD1 A:PHE797 4.1 28.9 1.0 O A:ASP796 4.1 30.3 1.0 CA A:ASP796 4.3 31.9 1.0 CE1 A:PHE797 4.3 26.8 1.0 C4 A:6221001 4.4 42.5 1.0 CA A:PHE797 4.5 26.6 1.0 CG1 A:VAL647 4.5 23.5 1.0 N4 A:6221001 4.5 48.4 1.0 CB A:VAL647 4.6 24.0 1.0 CG A:PHE797 4.6 34.0 1.0 N A:GLY795 4.8 26.9 1.0 CD1 A:LEU785 4.8 40.0 1.0 C14 A:6221001 4.9 56.8 1.0 CZ A:PHE797 5.0 28.4 1.0 N2 A:6221001 5.0 39.6 1.0 O A:ASN783 5.0 29.6 1.0

E.Spangenberg, P.L.Severson, L.A.Hohsfield, J.Crapser, J.Zhang, E.A.Burton, Y.Zhang, W.Spevak, J.Lin, N.Y.Phan, G.Habets, A.Rymar, G.Tsang, J.Walters, M.Nespi, P.Singh, S.Broome, P.Ibrahim, C.Zhang, G.Bollag, B.L.West, K.N.Green. Sustained Microglial Depletion with CSF1R Inhibitor Impairs Parenchymal Plaque Development in An Alzheimer'S Disease Model. Nat Commun V. 10 3758 2019.
ISSN: ESSN 2041-1723
PubMed: 31434879
DOI: 10.1038/S41467-019-11674-Z