Fluorine in PDB 7ll4: High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114.

All present enzymatic activity of High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114.:
2.7.10.2;

The structure of High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114., PDB code: 7ll4 was solved by M.R.Karim, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.54 / 1.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.835, 68.937, 49.705, 90, 97.65, 90
R / Rfree (%)	17.7 / 19.4

The binding sites of Fluorine atom in the High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114. (pdb code 7ll4). 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 High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114., PDB code: 7ll4:

Fluorine binding site 1 out of 1 in the High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:25.1 occ:1.00 F33 A:Y5D1201 0.0 25.1 1.0 C32 A:Y5D1201 1.4 15.0 1.0 H251 A:Y5D1201 2.2 30.2 1.0 C34 A:Y5D1201 2.3 13.2 1.0 C24 A:Y5D1201 2.4 18.0 1.0 H341 A:Y5D1201 2.6 15.8 1.0 C25 A:Y5D1201 2.8 25.2 1.0 O A:HOH1377 2.8 27.4 1.0 O A:HOH1453 2.9 20.9 1.0 O A:LEU855 3.2 22.4 1.0 H361 A:Y5D1201 3.4 16.5 1.0 HB3 A:LEU855 3.5 17.7 1.0 H312 A:Y5D1201 3.5 42.5 1.0 H261 A:Y5D1201 3.6 34.8 1.0 C21 A:Y5D1201 3.6 14.0 1.0 C23 A:Y5D1201 3.7 18.3 1.0 HD22 A:LEU855 3.7 19.3 1.0 C31 A:Y5D1201 3.7 35.4 1.0 HA3 A:GLY935 3.7 18.2 1.0 HA A:LEU855 3.8 18.7 1.0 C26 A:Y5D1201 3.8 29.0 1.0 HA2 A:GLY935 3.9 18.2 1.0 C A:LEU855 4.0 19.1 1.0 H A:SER936 4.1 15.2 1.0 C22 A:Y5D1201 4.1 15.0 1.0 CA A:LEU855 4.2 15.6 1.0 CB A:LEU855 4.2 14.7 1.0 CA A:GLY935 4.3 15.2 1.0 H311 A:Y5D1201 4.5 42.5 1.0 H262 A:Y5D1201 4.5 34.8 1.0 CD2 A:LEU855 4.5 16.1 1.0 C36 A:Y5D1201 4.5 13.7 1.0 HD23 A:LEU855 4.5 19.3 1.0 H231 A:Y5D1201 4.5 22.0 1.0 C30 A:Y5D1201 4.6 32.7 1.0 N28 A:Y5D1201 4.6 34.9 1.0 N35 A:Y5D1201 4.8 12.2 1.0 H301 A:Y5D1201 4.8 39.2 1.0 C27 A:Y5D1201 4.8 32.9 1.0 N A:SER936 4.8 12.7 1.0 N20 A:Y5D1201 4.8 12.7 1.0 CG A:LEU855 4.9 13.7 1.0 HB2 A:LEU855 5.0 17.7 1.0

M.R.Karim, E.Schonbrunn. High-Resolution Crystal Structure of Human Janus Kinase 2 Kinase Domain (JH1) Bound to PN5-114. To Be Published.