Zinc 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:

Fluorine

(F)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Carbonic Anhydrase IX-Mimic in Complex with U-F, PDB code: 5jn3:

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:9.6 occ:1.00 N1 A:WWZ304 2.0 8.3 1.0 NE2 A:HIS94 2.0 7.7 1.0 ND1 A:HIS119 2.0 6.4 1.0 NE2 A:HIS96 2.1 9.6 1.0 CE1 A:HIS119 2.9 6.1 1.0 CD2 A:HIS94 2.9 9.7 1.0 CD2 A:HIS96 3.0 10.4 1.0 CE1 A:HIS94 3.0 11.2 1.0 O1 A:WWZ304 3.0 8.8 1.0 S1 A:WWZ304 3.0 10.9 1.0 CG A:HIS119 3.1 7.8 1.0 CE1 A:HIS96 3.1 10.5 1.0 CB A:HIS119 3.5 6.1 1.0 O A:HOH543 3.8 8.4 0.6 OG1 A:THR199 3.8 8.4 1.0 OE1 A:GLU106 3.9 10.4 1.0 O2 A:WWZ304 4.1 8.3 1.0 NE2 A:HIS119 4.1 9.4 1.0 CG A:HIS94 4.1 9.6 1.0 ND1 A:HIS94 4.1 10.4 1.0 CG A:HIS96 4.2 9.4 1.0 CD2 A:HIS119 4.2 7.5 1.0 ND1 A:HIS96 4.2 10.2 1.0 C1 A:WWZ304 4.3 9.3 1.0 O A:HOH543 4.7 9.4 0.4 C2 A:WWZ304 4.8 11.5 1.0 CD A:GLU106 4.9 9.8 1.0

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