Fluorine in PDB 3nz0: Non-Phosphorylated TYK2 Kinase with CMP6

All present enzymatic activity of Non-Phosphorylated TYK2 Kinase with CMP6:
2.7.10.2;

The structure of Non-Phosphorylated TYK2 Kinase with CMP6, PDB code: 3nz0 was solved by C.Eigenbrot, M.Ultsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.30 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.590, 64.910, 83.020, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.3

The binding sites of Fluorine atom in the Non-Phosphorylated TYK2 Kinase with CMP6 (pdb code 3nz0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Non-Phosphorylated TYK2 Kinase with CMP6, PDB code: 3nz0:

Fluorine binding site 1 out of 1 in the Non-Phosphorylated TYK2 Kinase with CMP6


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Non-Phosphorylated TYK2 Kinase with CMP6 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:20.0 occ:1.00 F1 A:IZA1 0.0 20.0 1.0 C6 A:IZA1 1.3 19.2 1.0 C5 A:IZA1 2.2 18.9 1.0 C7 A:IZA1 2.3 17.8 1.0 O A:PRO982 3.3 21.2 1.0 O A:VAL981 3.5 16.4 1.0 C4 A:IZA1 3.5 16.9 1.0 C8 A:IZA1 3.6 16.8 1.0 CD2 A:LEU903 3.6 14.7 1.0 C A:PRO982 3.7 19.9 1.0 CA A:PRO982 3.8 20.9 1.0 N A:GLY984 3.9 21.9 1.0 CA A:GLY984 4.0 20.2 1.0 C3 A:IZA1 4.1 18.9 1.0 CE1 A:TYR980 4.1 20.9 1.0 NH2 A:ARG901 4.2 24.1 0.5 C A:VAL981 4.3 16.8 1.0 N A:PRO982 4.4 19.0 1.0 CG A:LEU903 4.5 14.8 1.0 O A:HOH145 4.5 30.0 1.0 N A:LEU983 4.6 21.7 1.0 CB A:LEU903 4.6 17.1 1.0 CD1 A:LEU903 4.6 14.2 1.0 O0 A:IZA1 4.7 17.7 1.0 C A:LEU983 4.7 24.7 1.0 CD1 A:TYR980 4.9 21.7 1.0 OH A:TYR980 4.9 21.7 1.0 C10 A:IZA1 4.9 17.6 1.0 NH1 A:ARG901 4.9 26.2 0.5 CZ A:TYR980 5.0 21.5 1.0

V.Tsui, P.Gibbons, M.Ultsch, K.Mortara, C.Chang, W.Blair, R.Pulk, M.Stanley, M.Starovasnik, D.Williams, M.Lamers, P.Leonard, S.Magnuson, J.Liang, C.Eigenbrot. A New Regulatory Switch in A Jak Protein Kinase. Proteins V. 79 393 2011.
ISSN: ISSN 0887-3585
PubMed: 21117080
DOI: 10.1002/PROT.22889