Fluorine in PDB 7dhc: The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10

All present enzymatic activity of The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10:
2.7.12.1;

The structure of The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10, PDB code: 7dhc was solved by T.Wei, J.Xiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.09 / 2.59
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.427, 128.382, 132.446, 90, 90, 90
R / Rfree (%)	16.4 / 21.8

The binding sites of Fluorine atom in the The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10 (pdb code 7dhc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10, PDB code: 7dhc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:49.5 occ:1.00 F28 A:H99601 0.0 49.5 1.0 C27 A:H99601 1.4 47.4 1.0 F29 A:H99601 2.3 55.3 1.0 C11 A:H99601 2.5 36.1 1.0 N07 A:H99601 2.7 28.9 1.0 C10 A:H99601 3.0 32.1 1.0 N A:ASP368 3.4 32.8 1.0 CZ A:PHE301 3.6 30.7 1.0 CE2 A:PHE301 3.6 30.6 1.0 C12 A:H99601 3.7 42.9 1.0 CA A:ASP368 3.8 29.3 1.0 CE1 A:PHE301 3.9 34.2 1.0 CD2 A:PHE301 3.9 30.3 1.0 C04 A:H99601 4.0 31.9 1.0 CD1 A:PHE301 4.1 30.8 1.0 CG A:PHE301 4.2 25.9 1.0 CB A:ILE367 4.3 25.2 1.0 C09 A:H99601 4.4 34.6 1.0 C03 A:H99601 4.5 30.8 1.0 CG2 A:ILE285 4.5 30.5 1.0 C A:ILE367 4.5 28.1 1.0 CB A:ASP368 4.7 34.1 1.0 O A:HOH701 4.7 30.0 1.0 CA A:ILE367 4.7 21.9 1.0 OE2 A:GLU266 4.8 47.5 1.0 CG1 A:ILE285 4.8 25.8 1.0 N A:PHE369 4.9 35.3 1.0 C A:ASP368 4.9 33.4 1.0 C13 A:H99601 4.9 48.4 1.0 CD1 A:ILE367 5.0 26.1 1.0

Fluorine binding site 2 out of 2 in the The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:55.3 occ:1.00 F29 A:H99601 0.0 55.3 1.0 C27 A:H99601 1.4 47.4 1.0 F28 A:H99601 2.3 49.5 1.0 C11 A:H99601 2.4 36.1 1.0 C12 A:H99601 3.0 42.9 1.0 CD A:LYS251 3.0 32.8 1.0 O A:HOH701 3.0 30.0 1.0 NZ A:LYS251 3.3 54.0 1.0 CZ A:PHE301 3.5 30.7 1.0 OE2 A:GLU266 3.6 47.5 1.0 C10 A:H99601 3.6 32.1 1.0 CE1 A:PHE301 3.6 34.2 1.0 CE A:LYS251 3.6 41.3 1.0 N07 A:H99601 4.0 28.9 1.0 CG A:LYS251 4.1 35.1 1.0 CE2 A:PHE301 4.3 30.6 1.0 C13 A:H99601 4.3 48.4 1.0 CB A:LYS251 4.4 40.0 1.0 CA A:ASP368 4.4 29.3 1.0 CD1 A:PHE301 4.5 30.8 1.0 OD1 A:ASP368 4.7 38.8 1.0 CD A:GLU266 4.7 48.2 1.0 C09 A:H99601 4.7 34.6 1.0 N A:ASP368 4.8 32.8 1.0 C26 A:H99601 5.0 48.2 1.0

T.Wei, J.Xiao. The Co-Crystal Structure of DYRK2 with A Small Molecule Inhibitor 10 To Be Published.