Zinc in PDB 6t4n: Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide, PDB code: 6t4n 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)	40.84 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.115, 41.106, 71.861, 90.00, 104.14, 90.00
R / Rfree (%)	17 / 19.6

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide (pdb code 6t4n). 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 Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide, PDB code: 6t4n:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Bound By 2,4,6-Trimethylbenzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.0 occ:1.00 N A:F1A302 1.9 9.2 1.0 NE2 A:HIS94 2.0 8.0 1.0 NE2 A:HIS96 2.0 9.9 1.0 ND1 A:HIS119 2.1 8.2 1.0 CE1 A:HIS119 3.0 8.1 1.0 O2 A:F1A302 3.0 9.6 1.0 CE1 A:HIS96 3.0 10.3 1.0 S A:F1A302 3.0 10.2 1.0 CD2 A:HIS94 3.0 9.3 1.0 CD2 A:HIS96 3.0 9.2 1.0 CE1 A:HIS94 3.0 8.7 1.0 CG A:HIS119 3.1 8.5 1.0 CB A:HIS119 3.5 8.3 1.0 C9 A:F1A302 3.8 12.5 1.0 OG1 A:THR199 3.9 8.8 1.0 OE1 A:GLU106 4.0 9.6 1.0 C1 A:F1A302 4.1 11.2 1.0 NE2 A:HIS119 4.1 8.7 1.0 CG A:HIS94 4.1 9.5 1.0 ND1 A:HIS94 4.1 9.2 1.0 ND1 A:HIS96 4.2 9.5 1.0 CG A:HIS96 4.2 8.8 1.0 O1 A:F1A302 4.2 9.6 1.0 CD2 A:HIS119 4.2 8.4 1.0 C6 A:F1A302 4.3 12.4 1.0 CD A:GLU106 4.9 11.1 1.0 CH2 A:TRP209 5.0 9.2 1.0

V.Dudutiene, A.Zubriene, V.Kairys, A.Smirnov, J.Smirnoviene, J.Leitans, A.Kazaks, K.Tars, L.Manakova, S.Grazulis, D.Matulis. Isoform-Selective Enzyme Inhibitors By Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J. V. 119 1513 2020.
ISSN: ESSN 1542-0086
PubMed: 32971003
DOI: 10.1016/J.BPJ.2020.08.037