Fluorine in PDB 7jyq: JAK2 JH2 in Complex with JAK020

All present enzymatic activity of JAK2 JH2 in Complex with JAK020:
2.7.10.2;

The structure of JAK2 JH2 in Complex with JAK020, PDB code: 7jyq was solved by D.E.Puleo, S.G.Krimmer, A.S.Newton, J.Schlessinger, W.L.Jorgensen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.11 / 1.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.446, 57.337, 60.965, 90, 110.55, 90
R / Rfree (%)	17.9 / 22.1

The binding sites of Fluorine atom in the JAK2 JH2 in Complex with JAK020 (pdb code 7jyq). 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 JAK2 JH2 in Complex with JAK020, PDB code: 7jyq:

Fluorine binding site 1 out of 1 in the JAK2 JH2 in Complex with JAK020


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of JAK2 JH2 in Complex with JAK020 within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:40.0 occ:1.00 F20 A:VPJ902 0.0 40.0 1.0 C19 A:VPJ902 1.4 30.0 1.0 C18 A:VPJ902 2.4 32.3 1.0 C21 A:VPJ902 2.4 30.6 1.0 O A:HOH1091 3.6 37.3 1.0 C17 A:VPJ902 3.6 28.6 1.0 C22 A:VPJ902 3.6 31.0 1.0 C16 A:VPJ902 4.1 30.6 1.0 N09 A:VPJ902 4.4 39.3 1.0 N11 A:VPJ902 4.7 31.9 1.0 CD2 A:LEU551 4.7 21.1 1.0 C10 A:VPJ902 4.8 39.0 1.0

A.S.Newton, J.Schlessinger, W.L.Jorgensen. JAK2 JH2 Ligands with Triazine Cores To Be Published.