Zinc in PDB 4fik: Human Carbonic Anhydrase II H64A Complexed with Thioxolone Hydrolysis Products

All present enzymatic activity of Human Carbonic Anhydrase II H64A Complexed with Thioxolone Hydrolysis Products:
4.2.1.1;

The structure of Human Carbonic Anhydrase II H64A Complexed with Thioxolone Hydrolysis Products, PDB code: 4fik was solved by K.H.Sippel, C.Genis, L.Govindasamy, M.Agbandje-Mckenna, B.C.Tripp, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.64 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.370, 41.380, 72.060, 90.00, 104.10, 90.00
R / Rfree (%)	11.6 / 13.7

The binding sites of Zinc atom in the Human Carbonic Anhydrase II H64A Complexed with Thioxolone Hydrolysis Products (pdb code 4fik). 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 H64A Complexed with Thioxolone Hydrolysis Products, PDB code: 4fik:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II H64A Complexed with Thioxolone Hydrolysis Products


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 H64A Complexed with Thioxolone Hydrolysis Products within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:5.9 occ:1.00 NE2 A:HIS94 2.0 4.8 1.0 NE2 A:HIS96 2.0 4.7 1.0 ND1 A:HIS119 2.1 5.8 1.0 O4 A:TH7302 2.2 12.7 0.6 S1 A:TH7302 2.3 7.6 0.6 S1 A:TH0303 2.3 14.1 0.4 CE1 A:HIS119 2.9 5.5 1.0 CD2 A:HIS94 3.0 5.0 1.0 CD2 A:HIS96 3.0 3.9 1.0 CE1 A:HIS94 3.0 4.5 1.0 CE1 A:HIS96 3.0 5.5 1.0 CG A:HIS119 3.2 5.0 1.0 C3 A:TH0303 3.2 11.8 0.4 C3 A:TH7302 3.2 9.2 0.6 CB A:HIS119 3.7 5.0 1.0 OG1 A:THR199 3.7 7.8 1.0 O1 A:TH0303 3.8 16.3 0.4 C2 A:TH7302 3.9 10.2 0.6 O1 A:TH7302 3.9 15.4 0.6 C2 A:TH0303 4.0 11.7 0.4 OE1 A:GLU106 4.1 3.9 0.5 C4 A:TH0303 4.1 14.8 0.4 NE2 A:HIS119 4.1 5.9 1.0 ND1 A:HIS94 4.1 4.9 1.0 CG A:HIS94 4.1 5.0 1.0 C4 A:TH7302 4.2 13.6 0.6 ND1 A:HIS96 4.2 6.0 1.0 CG A:HIS96 4.2 4.7 1.0 CD2 A:HIS119 4.3 5.5 1.0 C3 A:GOL306 4.5 10.8 1.0 CB A:THR199 5.0 7.8 1.0

K.H.Sippel, C.Genis, L.Govindasamy, M.Agbandje-Mckenna, J.J.Kiddle, B.C.Tripp, R.Mckenna. Synchrotron Radiation Provides A Plausible Explanation For the Generation of A Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett V. 1 2898 2010.
ISSN: ESSN 1948-7185
PubMed: 20976122
DOI: 10.1021/JZ100954H