Zinc in PDB 8okt: Carbonic Anhydrase IX Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42

All present enzymatic activity of Carbonic Anhydrase IX Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42:
4.2.1.1; 4.2.1.69;

The structure of Carbonic Anhydrase IX Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42, PDB code: 8okt was solved by J.Brynda, P.M.Rezacova, E.Kudova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.58 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.78, 41.14, 71.9, 90, 103.79, 90
R / Rfree (%)	15.7 / 17.8

The binding sites of Zinc atom in the Carbonic Anhydrase IX Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42 (pdb code 8okt). 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 Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42, PDB code: 8okt:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase IX Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42


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 Like Mutant in Complex with STERIOD_SULPHAMOYL Inhibitor VK42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.0 occ:1.00 N19 A:VRN302 1.9 10.9 1.0 NE2 A:HIS96 2.0 8.5 1.0 NE2 A:HIS94 2.1 8.9 1.0 ND1 A:HIS119 2.1 9.0 1.0 CE1 A:HIS119 2.9 8.7 1.0 CD2 A:HIS96 3.0 9.2 1.0 CD2 A:HIS94 3.0 9.4 1.0 CE1 A:HIS96 3.0 8.7 1.0 CE1 A:HIS94 3.1 9.2 1.0 S22 A:VRN302 3.1 11.2 1.0 CG A:HIS119 3.2 8.5 1.0 O3 A:VRN302 3.3 11.4 1.0 O21 A:VRN302 3.5 11.7 1.0 CB A:HIS119 3.6 8.5 1.0 O A:HOH574 3.7 25.6 1.0 OE1 A:GLU106 3.9 9.6 1.0 OG1 A:THR198 3.9 8.1 1.0 NE2 A:HIS119 4.1 8.7 1.0 ND1 A:HIS96 4.1 8.9 1.0 CG A:HIS96 4.1 8.9 1.0 CG A:HIS94 4.2 8.9 1.0 ND1 A:HIS94 4.2 9.2 1.0 CD2 A:HIS119 4.2 8.5 1.0 O20 A:VRN302 4.3 10.6 1.0 CD A:GLU106 4.8 9.1 1.0 C3 A:VRN302 4.9 13.4 1.0 CH2 A:TRP208 5.0 8.9 1.0

J.Brynda, P.M.Rezacova, E.Kudova. Carbonic Anhydrase II in Complex with STERIOD_SULPHAMOYL To Be Published.