Zinc in PDB 3t83: Human Carbonic Anhydrase II in Complex with Acetylated Carbohydrate Sulfamates

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Acetylated Carbohydrate Sulfamates:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with Acetylated Carbohydrate Sulfamates, PDB code: 3t83 was solved by A.Hofmann, C.K.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.70 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.540, 41.440, 72.360, 90.00, 104.51, 90.00
R / Rfree (%)	16.1 / 20.7

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Acetylated Carbohydrate Sulfamates (pdb code 3t83). 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 in Complex with Acetylated Carbohydrate Sulfamates, PDB code: 3t83:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Acetylated Carbohydrate Sulfamates


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 in Complex with Acetylated Carbohydrate Sulfamates within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn261 b:5.4 occ:1.00 NE2 A:HIS94 2.0 6.7 1.0 N5F A:SG5300 2.1 4.8 0.5 N5F A:MG5301 2.1 4.8 0.5 NE2 A:HIS96 2.1 4.0 1.0 ND1 A:HIS119 2.1 3.8 1.0 CD2 A:HIS94 2.9 5.3 1.0 CE1 A:HIS119 3.0 5.1 1.0 CD2 A:HIS96 3.0 6.0 1.0 CE1 A:HIS96 3.1 6.3 1.0 S5C A:SG5300 3.1 6.0 0.5 S5C A:MG5301 3.1 6.0 0.5 CE1 A:HIS94 3.1 5.0 1.0 CG A:HIS119 3.2 5.0 1.0 O5D A:SG5300 3.3 7.9 0.5 O5D A:MG5301 3.3 7.9 0.5 O5 A:SG5300 3.6 7.8 0.5 O5 A:MG5301 3.6 7.8 0.5 CB A:HIS119 3.6 4.0 1.0 O5B A:SG5300 3.6 7.7 0.5 O5B A:MG5301 3.6 7.7 0.5 OE1 A:GLU106 3.9 4.9 1.0 OG1 A:THR198 4.0 5.3 1.0 C5A A:SG5300 4.1 7.2 0.5 C5A A:MG5301 4.1 7.2 0.5 CG A:HIS94 4.1 4.7 1.0 NE2 A:HIS119 4.1 3.3 1.0 ND1 A:HIS94 4.2 4.5 1.0 ND1 A:HIS96 4.2 7.1 1.0 CG A:HIS96 4.2 5.1 1.0 CD2 A:HIS119 4.3 3.2 1.0 O5E A:SG5300 4.3 5.8 0.5 O5E A:MG5301 4.3 5.8 0.5 C5 A:SG5300 4.4 7.9 0.5 C5 A:MG5301 4.4 7.9 0.5 C1 A:SG5300 4.6 7.2 0.5 C1 A:MG5301 4.6 7.2 0.5 O1A A:MG5301 4.8 8.5 0.1 CD A:GLU106 4.9 5.0 1.0 CH2 A:TRP208 5.0 4.4 1.0

M.Lopez, H.Vu, C.K.Wang, M.G.Wolf, G.Groenhof, A.Innocenti, C.T.Supuran, S.A.Poulsen. Promiscuity of Carbonic Anhydrase II. Unexpected Ester Hydrolysis of Carbohydrate-Based Sulfamate Inhibitors. J.Am.Chem.Soc. V. 133 18452 2011.
ISSN: ISSN 0002-7863
PubMed: 21958118
DOI: 10.1021/JA207855C