Fluorine in PDB 8x2o: RIPK2 in Complex with K252

All present enzymatic activity of RIPK2 in Complex with K252:
2.7.10.2; 2.7.11.1;

The structure of RIPK2 in Complex with K252, PDB code: 8x2o was solved by J.H.Yang, J.H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.90 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.08, 102.77, 125.31, 90, 90, 90
R / Rfree (%)	21.3 / 25.4

The binding sites of Fluorine atom in the RIPK2 in Complex with K252 (pdb code 8x2o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the RIPK2 in Complex with K252, PDB code: 8x2o:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the RIPK2 in Complex with K252


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of RIPK2 in Complex with K252 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:46.9 occ:1.00 F1 A:6IL401 0.0 46.9 1.0 CB A:6IL401 1.4 42.9 1.0 CA A:6IL401 2.4 43.6 1.0 C4 A:6IL401 2.4 44.2 1.0 H2 A:6IL401 2.6 52.9 1.0 N A:6IL401 2.8 42.2 1.0 N4 A:6IL401 2.9 43.3 1.0 C8 A:6IL401 3.0 44.6 1.0 CB A:ALA45 3.1 42.5 1.0 OG1 A:THR95 3.4 44.2 1.0 H4 A:6IL401 3.5 50.5 1.0 CG1 A:VAL32 3.5 52.8 1.0 N A:VAL46 3.5 46.7 1.0 C A:ALA45 3.6 44.7 1.0 C1 A:6IL401 3.6 43.7 1.0 C7 A:6IL401 3.7 41.8 1.0 N A:LYS47 3.8 52.6 1.0 C A:VAL46 3.9 53.9 1.0 C11 A:6IL401 3.9 44.5 1.0 CA A:ALA45 4.0 45.1 1.0 CA A:VAL46 4.0 49.9 1.0 O A:ALA45 4.1 46.1 1.0 C9 A:6IL401 4.1 45.7 1.0 CD1 A:6IL401 4.1 43.1 1.0 H5 A:6IL401 4.3 53.2 1.0 CG2 A:VAL32 4.3 54.9 1.0 O A:VAL46 4.4 54.1 1.0 CB A:LYS47 4.5 51.3 1.0 CB A:VAL32 4.5 56.2 1.0 H3 A:6IL401 4.5 50.0 1.0 CA A:LYS47 4.6 54.0 1.0 CB A:THR95 4.6 43.2 1.0 CG2 A:THR95 4.6 42.9 1.0 N3 A:6IL401 4.8 46.3 1.0 C10 A:6IL401 4.9 45.7 1.0 O A:ILE93 4.9 49.5 1.0 H6 A:6IL401 4.9 58.0 1.0 C12 A:6IL401 4.9 48.5 1.0

Fluorine binding site 2 out of 2 in the RIPK2 in Complex with K252


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of RIPK2 in Complex with K252 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:59.7 occ:1.00 F1 B:6IL401 0.0 59.7 1.0 CB B:6IL401 1.4 58.9 1.0 C4 B:6IL401 2.4 59.8 1.0 CA B:6IL401 2.4 57.6 1.0 H2 B:6IL401 2.6 71.6 1.0 N4 B:6IL401 2.8 56.8 1.0 N B:6IL401 2.8 55.2 1.0 C8 B:6IL401 2.9 54.9 1.0 CB B:ALA45 3.2 55.0 1.0 H4 B:6IL401 3.5 66.1 1.0 OG1 B:THR95 3.5 49.9 1.0 N B:VAL46 3.6 58.9 1.0 CG1 B:VAL32 3.6 68.8 1.0 C1 B:6IL401 3.6 57.5 1.0 C B:ALA45 3.7 59.3 1.0 C7 B:6IL401 3.7 56.4 1.0 C11 B:6IL401 3.8 52.3 1.0 N B:LYS47 3.9 69.6 1.0 C B:VAL46 3.9 69.4 1.0 CG2 B:VAL32 4.0 68.3 1.0 C9 B:6IL401 4.0 59.2 1.0 CA B:VAL46 4.0 62.7 1.0 CA B:ALA45 4.1 59.6 1.0 O B:ALA45 4.1 59.7 1.0 H5 B:6IL401 4.2 62.6 1.0 CD1 B:6IL401 4.2 58.3 1.0 CB B:VAL32 4.4 74.0 1.0 O B:VAL46 4.4 71.0 1.0 CB B:LYS47 4.4 70.1 1.0 H3 B:6IL401 4.6 67.5 1.0 CA B:LYS47 4.6 70.7 1.0 N3 B:6IL401 4.7 55.2 1.0 C10 B:6IL401 4.7 56.9 1.0 CB B:THR95 4.7 52.3 1.0 CG2 B:THR95 4.8 50.5 1.0 H6 B:6IL401 4.8 75.5 1.0 C12 B:6IL401 4.8 63.1 1.0 O B:ILE93 4.9 65.3 1.0

J.H.Yang, J.H.Yang. RIPK2 in Complex with K252 To Be Published.