Zinc in PDB 6ql2: Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide.

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide.:
4.2.1.1;

The structure of Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide., PDB code: 6ql2 was solved by A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.136, 41.309, 71.368, 90.00, 104.22, 90.00
R / Rfree (%)	11.9 / 15.7

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide. (pdb code 6ql2). 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 Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide., PDB code: 6ql2:

Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Chimeric Carbonic Anhydrase VI with Ethoxzolamide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.1 occ:1.00 N1 A:EZL306 1.9 9.7 1.0 NE2 A:HIS94 2.0 9.3 1.0 ND1 A:HIS119 2.0 9.1 1.0 NE2 A:HIS96 2.0 9.3 1.0 CE1 A:HIS119 2.9 8.7 1.0 CD2 A:HIS94 3.0 9.3 1.0 CD2 A:HIS96 3.0 9.8 1.0 O1 A:EZL306 3.0 9.9 1.0 S1 A:EZL306 3.0 10.1 1.0 CE1 A:HIS94 3.1 9.3 1.0 CE1 A:HIS96 3.1 10.7 1.0 CG A:HIS119 3.1 8.3 1.0 CB A:HIS119 3.6 8.6 1.0 OG1 A:THR199 3.9 9.5 1.0 OE1 A:GLU106 4.0 11.4 1.0 O1 A:EDO305 4.0 38.6 1.0 NE2 A:HIS119 4.1 9.0 1.0 O2 A:EZL306 4.1 10.2 1.0 ND1 A:HIS94 4.2 9.6 1.0 CG A:HIS94 4.2 9.2 1.0 ND1 A:HIS96 4.2 10.1 1.0 CG A:HIS96 4.2 8.8 1.0 C1 A:EZL306 4.2 10.0 1.0 CD2 A:HIS119 4.2 8.8 1.0 C1 A:EDO305 4.6 33.7 1.0 N2 A:EZL306 4.9 10.8 1.0 CD A:GLU106 4.9 10.7 1.0

J.Kazokaite, V.Kairys, J.Smirnoviene, A.Smirnov, E.Manakova, M.Tolvanen, S.Parkkila, D.Matulis. Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep V. 9 12710 2019.
ISSN: ESSN 2045-2322
PubMed: 31481705
DOI: 10.1038/S41598-019-49094-0