Fluorine in PDB 1if4: Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide

All present enzymatic activity of Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide:
4.2.1.1;

The structure of Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide, PDB code: 1if4 was solved by C.-Y.Kim, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.300, 42.000, 73.600, 90.00, 104.10, 90.00
R / Rfree (%)	21.9 / 29.6

The structure of Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Fluorine atom in the Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide (pdb code 1if4). 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 II Complexed with 4-Fluorobenzenesulfonamide, PDB code: 1if4:

Fluorine binding site 1 out of 1 in the Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Carbonic Anhydrase II Complexed with 4-Fluorobenzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:F555 b:21.2 occ:1.00 F11 A:FBS555 0.0 21.2 1.0 C01 A:FBS555 1.4 11.6 1.0 C06 A:FBS555 2.4 12.1 1.0 C02 A:FBS555 2.4 11.4 1.0 C05 A:FBS555 3.7 10.2 1.0 C03 A:FBS555 3.7 12.9 1.0 C04 A:FBS555 4.3 12.6 1.0 CZ A:PHE131 4.3 22.1 1.0 CD2 A:LEU198 4.7 18.2 1.0 CE2 A:PHE131 4.8 21.3 1.0

C.-Y.Kim, D.W.Christianson. Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II To Be Published.