Zinc in PDB 4itp: Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide

All present enzymatic activity of Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide:
4.2.1.1;

The structure of Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide, PDB code: 4itp was solved by S.Biswas, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.14 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.340, 41.274, 72.007, 90.00, 104.16, 90.00
R / Rfree (%)	15.3 / 19.1

The binding sites of Zinc atom in the Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide (pdb code 4itp). 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 Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide, PDB code: 4itp:

Zinc binding site 1 out of 1 in the Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Carbonic Anhydrase II Bound to A Benzene Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:16.0 occ:1.00 NE2 A:HIS94 2.0 12.4 1.0 N1 A:1GD304 2.0 13.5 1.0 NE2 A:HIS96 2.1 13.6 1.0 ND1 A:HIS119 2.1 14.7 1.0 CE1 A:HIS119 2.9 13.8 1.0 CD2 A:HIS94 3.0 15.2 1.0 CE1 A:HIS94 3.0 12.7 1.0 O4 A:1GD304 3.0 15.1 1.0 CD2 A:HIS96 3.0 13.6 1.0 CE1 A:HIS96 3.1 18.1 1.0 S02 A:1GD304 3.1 14.6 1.0 CG A:HIS119 3.2 14.8 1.0 CB A:HIS119 3.6 12.5 1.0 OG1 A:THR199 3.9 14.8 1.0 OE1 A:GLU106 4.0 15.4 1.0 ND1 A:HIS94 4.1 15.0 1.0 CG A:HIS94 4.1 16.9 1.0 NE2 A:HIS119 4.1 13.3 1.0 O3 A:1GD304 4.1 14.3 1.0 C5 A:1GD304 4.1 16.3 1.0 CG A:HIS96 4.2 14.2 1.0 ND1 A:HIS96 4.2 14.6 1.0 CD2 A:HIS119 4.2 14.7 1.0 C3 A:GOL301 4.5 19.4 1.0 C21 A:1GD304 4.8 14.8 1.0 CD A:GLU106 4.9 16.6 1.0 C6 A:1GD304 4.9 17.8 1.0

O.Guzel-Akdemir, S.Biswas, K.Lastra, R.Mckenna, C.T.Supuran. Structural Study of the Location of the Phenyl Tail of Benzene Sulfonamides and the Effect on Human Carbonic Anhydrase Inhibition. Bioorg.Med.Chem. V. 21 6674 2013.
ISSN: ISSN 0968-0896
PubMed: 24012377
DOI: 10.1016/J.BMC.2013.08.011