Fluorine in PDB 5jn3: Carbonic Anhydrase IX-Mimic in Complex with U-F

All present enzymatic activity of Carbonic Anhydrase IX-Mimic in Complex with U-F:
4.2.1.1;

The structure of Carbonic Anhydrase IX-Mimic in Complex with U-F, PDB code: 5jn3 was solved by R.Mckenna, M.Y.Mboge, B.P.Mahon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.069, 41.443, 72.023, 90.00, 103.72, 90.00
R / Rfree (%)	16.9 / 19.6

The structure of Carbonic Anhydrase IX-Mimic in Complex with U-F also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Carbonic Anhydrase IX-Mimic in Complex with U-F (pdb code 5jn3). 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 Carbonic Anhydrase IX-Mimic in Complex with U-F, PDB code: 5jn3:

Fluorine binding site 1 out of 1 in the Carbonic Anhydrase IX-Mimic in Complex with U-F


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Carbonic Anhydrase IX-Mimic in Complex with U-F within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:51.0 occ:1.00 F13 A:WWZ304 0.0 51.0 1.0 C13 A:WWZ304 1.4 43.6 1.0 C12 A:WWZ304 2.4 42.5 1.0 C14 A:WWZ304 2.4 33.7 1.0 CG1 A:VAL131 3.1 17.0 0.7 O A:HOH501 3.1 20.9 1.0 N A:GLY132 3.5 14.2 1.0 C11 A:WWZ304 3.6 40.3 1.0 C15 A:WWZ304 3.7 37.5 1.0 CA A:GLY132 3.8 17.3 1.0 C10 A:WWZ304 4.1 37.0 1.0 CB A:VAL131 4.2 16.5 0.3 C A:VAL131 4.3 15.3 1.0 CB A:VAL131 4.3 16.4 0.7 CG2 A:VAL131 4.6 14.4 0.7 CA A:VAL131 4.7 16.4 1.0 CG2 A:VAL131 4.9 15.2 0.3 O A:VAL131 5.0 12.0 1.0 CG1 A:VAL131 5.0 15.1 0.3

R.Mckenna, M.Y.Mboge, B.P.Mahon. Carbonic Anhydrase IX-Mimic in Complex with U-F To Be Published.